SCHEMBL8750400

SCHEMBL8750400

COCc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 1/20 0.39
SLC22A12 Q96S37 4/20 0.39
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
SCN4A P35499 3/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL15352694 0.84 CD44 (0.46) CYP1A2CYP2A6TSHRCYP3A4CYP2D6
SCHEMBL12016024 0.84 SMN1; SMN2 (0.39) TAAR1LMNAGAA
SCHEMBL13248032 0.84 ACHE (0.44) ACHEALDH1A1TAAR1SCN8A
SCHEMBL27585610 0.84 CYP1A2 (0.32) CYP1A2CYP2A6SLC22A12TSHRACHE
SCHEMBL19867469 0.84 TAAR1 (0.34) CYP1A2CYP2A6SLC22A12TSHRACHE
SCHEMBL2218864 0.84 TRPA1 (0.46) CYP1A2SLC22A12TSHRCYP3A4CA1
SCHEMBL865078 0.81 CYP1A2 (0.41) CYP1A2CYP2A6SLC22A12TSHRACHE
SCHEMBL20205935 0.81 GAA (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6276875 0.81 KDM4E (0.31) CYP1A2CYP2A6HPGDHSD17B10
SCHEMBL26651827 0.81 GABRA1 (0.47) CYP1A2CYP2A6TSHRCA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345705-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists Sanford Burnham Prebys Medical Discovery Institute (US) 2022-05-31 US disclosed
US-20210040098-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-02-11 US disclosed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
CN-103930423-B Pyrazoloquinoline Derivatives Wei material RD Management Co.,Ltd. (JP) 2015-09-16 CN disclosed
WO-2015131035-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS LYCERA CORPORATION (US) 2015-09-03 WO disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP 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
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN 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
CN-1051368-A Salicylic acid copolymers and its metal-salt and preparation method thereof contain the developer of this metal salts of copolymers and the colour developing paper of this developer of employing MITSUI TOATSU CHEMICALS (JP) 1991-05-15 CN disclosed
CN-87107802-A Salicylic acid copolymer and metal salt thereof, process for producing the same, color-developing agent containing the copolymer metal salt, and color-developing paper using the color-developing agent 1988-08-10 CN 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 (6 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-11345705-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists APLNR, AP3B1, AGTR1 CYP1A2 2146/4885CYP2A6 2716/4885SLC22A12 3031/4885
US-20210040098-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA CYP1A2 3488/4885CYP2A6 3440/4885SLC22A12 1400/4885
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA CYP1A2 287/4885CYP2A6 217/4885SLC22A12 1542/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA CYP1A2 398/4885CYP2A6 415/4885SLC22A12 2494/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA CYP1A2 430/4885CYP2A6 392/4885SLC22A12 2258/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 CYP1A2 4246/4885CYP2A6 4593/4885SLC22A12 2084/4885

“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.