SCHEMBL40509

SCHEMBL40509

CCOc1cc[c]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 6/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ALOX12 P18054 1/20 0.38
NTSR1 P30989 1/20 0.38
CCR6 P51684 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
GLA P06280 1/20 0.37
HTT P42858 4/20 0.36
TSHR P16473 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2232272 0.87 CYP2A6 (0.41) ALDH1A1LMNANPSR1MAPTL3MBTL1
SCHEMBL668349 0.86 CNR1 (0.41) TSHRCYP2A6CYP1A2CYP2C19MEN1
SCHEMBL9164753 0.85 NCF1 (0.46) ALDH1A1LMNANPSR1MAPTL3MBTL1
SCHEMBL668261 0.84 CYP2C9 (0.46) L3MBTL1HTTCYP1A2CYP2C19TDP1
SCHEMBL250334 0.83 CNR1 (0.44) LMNAMAPTL3MBTL1HTTCYP1A2
SCHEMBL27543624 0.82 CLCN2 (0.32)
SCHEMBL6725624 0.82 MEN1 (0.45) LMNAMAPTL3MBTL1HTTCYP1A2
SCHEMBL15206293 0.81 KDM1A (0.36) TSHR
SCHEMBL7832236 0.81 TLR8 (0.38) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL294840 0.81 GABRP (0.35)

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 1077 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
CN-111808045-B Method for synthesizing chiral seven-element cyclic sulfonamide through organic catalysis 中国科学院大连化学物理研究所 2022-07-08 CN claimed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO claimed
US-20100048957-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L 2010-02-25 US claimed
EP-2037762-A4 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L (US) 2009-07-08 EP claimed
EP-2037762-A1 METHOD TO PREPARE PURE CURCUMIN Kim, Darrick S.H.L. (US) 2009-03-25 EP claimed
WO-2007143635-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S (US) 2007-12-13 WO claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
CN-1019571-B Process for preparing biphenyl-n-propylamine derivatives and their salts CHINOIN GYOGYSZER ES VEGYESZET (HU) 1992-12-23 CN claimed
EP-0253327-B1 DIPHENYLPROPYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR PHARMACEUTICAL USE CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-06 EP claimed
US-4988730-A Treatment of angina or arrhythmia CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYAR RT (HU) 1991-01-29 US claimed
US-4906551-A Process for the post-treatment of developed relief printing forms for use in flexographic printing HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US claimed
CN-87104753-A Prepare the new diphenyl Tri N-Propyl Amine derivative and the method for salt thereof 1988-06-15 CN claimed
EP-0253327-A2 Diphenylpropylamine derivatives, their preparation and their pharmaceutical use CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-01-20 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA ALDH1A1 414/4885LMNA 1582/4885NPSR1 4190/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885LMNA 1693/4885NPSR1 1764/4885

“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.