SCHEMBL801235

SCHEMBL801235

Cc1ccc(C(O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
TDP1 Q9NUW8 5/20 0.42
ACHE P22303 3/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 6/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
RECQL P46063 4/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL801325 1.00 CHRNA7 (0.48) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL801000 1.00 CHRNA7 (0.48) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL6839350 0.89 KDM4E (0.46) TDP1KDM4ELMNAHIF1AADRA2A
SCHEMBL11938483 0.86 CHRNA7 (0.55) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL11938485 0.86 CHRNA7 (0.55) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL3693273 0.86 CHRNA7 (0.55) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL19200934 0.85 CHRNA7 (0.44) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL18811854 0.81 CHRNA7 (0.41) CHRNA7TDP1ACHEALOX5KDM4E
SCHEMBL9790482 0.81 NOS3 (0.45) TDP1KDM4ELMNAHIF1AADRA2A
SCHEMBL29861025 0.81 CYP3A4 (0.46) TDP1KDM4ELMNAHIF1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
US-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2018-05-10 US disclosed
EP-2963016-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2017-10-11 EP disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
WO-2017093845-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION PFIZER INC. (US) 2017-06-08 WO disclosed
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
EP-0393742-B1 Process for the preparation of alkyl substituted tetralins and indanes QUEST INT (NL) 1994-11-30 EP disclosed
US-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5079386-A PROCESS FOR THE PREPARATION OF ALKYL SUBSTITUTED TETRALINS AND INDANES UNILEVER PATENT HOLDINGS B.V. (NL) 1992-01-07 US 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-0393742-A1 Process for the preparation of alkyl substituted tetralins and indanes QUEST INTERNATIONAL B.V. (NL) 1990-10-24 EP 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
US-4352748-A Novel acyl-polyalkylindan compounds and the use thereof as a base for perfume, as well as perfume compositions NAARDEN INTERNATIONAL N.V. (NL) 1982-10-05 US disclosed
US-4118424-A 1,1-BIS/P-ETHOXY-PHENYL/-PROPANE DERIVATIVES UNIVERSITY OF ILLINOIS FOUNDATION (US) 1978-10-03 US disclosed
US-4003950-A Diphenyl methane biodegradable insecticides UNIVERSITY OF ILLINOIS FOUNDATION (US) 1977-01-18 US 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 (4 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 CHRNA7 296/4885TDP1 3809/4885ACHE 1784/4885
US-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS IDO1, IDO2, TDO2 CHRNA7 2997/4885TDP1 463/4885ACHE 938/4885
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CHRNA7 1882/4885TDP1 1114/4885ACHE 105/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CHRNA7 4407/4885TDP1 3714/4885ACHE 289/4885

“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.