SCHEMBL8750484

SCHEMBL8750484

Cc1cccc(COC(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
MAOB P27338 5/20 0.50
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
TACR1 P25103 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL646907 0.87 IDO1 (0.42) IDO1TAAR1MAOA
SCHEMBL23639417 0.85 IDO1 (0.56) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL13184971 0.83 IDO1 (0.55) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL20714726 0.82 IDO1 (0.58) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL29417598 0.82 IDO1 (0.53) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL16004817 0.82 IDO1 (0.53) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL11929201 0.81 TAAR1 (0.53) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL13535463 0.80 ALDH1A1 (0.55) IDO1MAOBTAAR1ALDH1A1CYP2D6
SCHEMBL10226540 0.80 TP53 (0.39) IDO1TAAR1ALDH1A1
SCHEMBL10819591 0.80 ENPP2 (0.50) TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20210338683-A1 TREATMENT OF VIRAL INFECTIONS WITH COMBINATION OF PIKFYVE KINASE INHIBITORS AND TMPRSS-2 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-04 US disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C IDO1 3172/4885MAOB 4347/4885TAAR1 4292/4885
US-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 IDO1 74/4885MAOB 1606/4885TAAR1 4361/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 IDO1 3061/4885MAOB 3224/4885TAAR1 173/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 IDO1 1122/4885MAOB 1610/4885TAAR1 3988/4885
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT IDO1 199/4885MAOB 14/4885TAAR1 82/4885
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO IDO1 584/4885MAOB 1396/4885TAAR1 2967/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L IDO1 636/4885MAOB 1537/4885TAAR1 4597/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A IDO1 588/4885MAOB 42/4885TAAR1 1176/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 IDO1 4683/4885MAOB 3163/4885TAAR1 2181/4885
US-20210338683-A1 TREATMENT OF VIRAL INFECTIONS WITH COMBINATION OF PIKFYVE KINASE INHIBITORS AND TMPRSS-2 INHIBITORS PIKFYVE, TMPRSS2, TMPRSS4 IDO1 2762/4885MAOB 4484/4885TAAR1 4227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.