SCHEMBL145646

SCHEMBL145646

Cc1[c]cc(-c2ccccc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
KMT2A Q03164 1/20 0.38
HRH1 P35367 1/20 0.37
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
NFKB1 P19838 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
SCHEMBL9830500 0.79 KDM4E (0.39) MAOBKMT2ANPC1RAB9APOLB
SCHEMBL1328314 0.79 NPC1 (0.41) MAOBKMT2AHPGDNPC1RAB9A
SCHEMBL694653 0.74 KIF11 (0.38) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL9676781 0.74 S1PR4 (0.38) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9678151 0.72 ALDH1A1 (0.40) CYP3A4KMT2AHPGDNPC1RAB9A
SCHEMBL9679598 0.71 USP8 (0.38) CYP3A4CYP2C19KMT2AHPGDNPC1
SCHEMBL2748289 0.69 NOTUM (0.39) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL9679626 0.68 ALDH1A1 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL2199459 0.65 PTGS1 (0.55) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL76097 0.65 CYP2E1 (0.58) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US claimed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US claimed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
EP-2626072-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-14 EP claimed
EP-2623101-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO claimed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
EP-1066264-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-1999011633-A1 TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-03-11 WO 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 (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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CYP3A4 1609/4885CYP2E1 860/4885CYP2D6 1922/4885
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E CYP3A4 4792/4885CYP2E1 4507/4885CYP2D6 4777/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP3A4 2735/4885CYP2E1 1074/4885CYP2D6 855/4885

“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.