SCHEMBL1709964

SCHEMBL1709964

COc1c(C)cccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
CYP3A4 P08684 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.46
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 4/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
SCN4A P35499 7/20 0.41
LMNA P02545 3/20 0.41
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP2C9 P11712 1/20 0.41
KCNK3 O14649 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 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
SCHEMBL358326 0.85 ALDH1A1 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL4332744 0.82 ALDH1A1 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL145464 0.82 ALDH1A1 (0.48) CYP3A4TSHRALDH1A1SCN4ALMNA
SCHEMBL1341407 0.81 ALDH1A1 (0.47) CD44CYP3A4TDP1TSHRALDH1A1
SCHEMBL17368402 0.80 ALDH1A1 (0.40) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL31607690 0.78 ALDH1A1 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL2203933 0.78 ALDH1A1 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL210128 0.76 ALDH1A1 (0.62) CYP3A4TDP1TSHRALDH1A1ADRA2B
SCHEMBL23146537 0.76 ALDH1A1 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3787782 0.76 ENPP2 (0.47) CYP3A4TDP1TSHRPIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249091-B2 Post-treated sulfurized salt of an alkyl-substituted hydroxyaromatic composition CHEVRON ORONITE COMPANY LLC (US) 2016-02-02 US claimed
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION CHEVRON ORONITE COMPANY LLC (US) 2013-06-27 US claimed
US-7056986-B2 ethylene monomer can be a vinyl ketone, ether, ester, halide, nitrile, aromatic, or an allyl ether; acrylic monomer can be a mono- or diacid or monoester of a diacid; a monoamine, a guanidine compound, and an aromatic diamine; improved vulcanizability, balance between processability and compression set DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-06-06 US claimed
CN-86108684-A The preparation method of three grades of 2-chloro-monoacetylaniline missible oil 1987-07-29 CN claimed
US-12433826-B2 Primer and kit of primer and dental material KETTENBACH GMBH & CO. KG (DE) 2025-10-07 US disclosed
WO-2024120471-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-13 WO disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
CN-116997549-A Pyrrolo [3,2-C ] pyridin-4-one derivatives for the treatment of cancer 蝎子疗法股份有限公司 2023-11-03 CN disclosed
CN-114874189-B Substituted heteroaryl derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2023-09-29 CN disclosed
US-20040266922-A1 Ethylene-acrylic copolymer rubber composition DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-12-30 US disclosed
EP-1449881-A1 ACRYLIC RUBBER COMPOSITION DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-08-25 EP disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 WO disclosed
EP-0468647-A1 Anionic compounds ZENECA LIMITED (GB) 1992-01-29 EP disclosed
CN-86108684-A The preparation method of three grades of 2-chloro-monoacetylaniline missible oil 1987-07-29 CN disclosed
US-4517005-A Aminophenol urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 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 (3 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-12433826-B2 Primer and kit of primer and dental material MVD, KIT, POLL CD44 246/4885CYP3A4 2636/4885TDP1 1732/4885
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION TST, PAH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CD44 438/4885CYP3A4 2118/4885TDP1 1379/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CD44 3124/4885CYP3A4 2982/4885TDP1 1198/4885

“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.