SCHEMBL806296

SCHEMBL806296

COc1ccc2ccc(C)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.64
CYP1A2 P05177 3/20 0.64
TDP1 Q9NUW8 1/20 0.56
ACHE P22303 2/20 0.54
RAB9A P51151 1/20 0.53
FLT3 P36888 2/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
RELA Q04206 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GSTP1 P09211 1/20 0.47
AXL P30530 1/20 0.47
CYP11B2 P19099 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
CYP17A1 P05093 1/20 0.46
NCF1 P14598 1/20 0.46
CYP11B1 P15538 1/20 0.45

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
SCHEMBL12357268 0.95 CYP2A6 (0.59) CYP2A6CYP1A2TDP1ACHERAB9A
SCHEMBL7750 0.95 CYP2A6 (0.65) CYP2A6CYP1A2TDP1ACHERAB9A
SCHEMBL443528 0.88 CYP2A6 (0.80) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL29367032 0.88 CYP2A6 (0.80) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL15869806 0.87 CYP2A6 (0.54) CYP2A6CYP1A2TDP1ACHEFLT3
SCHEMBL12031848 0.87 HSD17B1 (0.68) CYP2A6CYP1A2ACHERAB9AFLT3
SCHEMBL26710972 0.85 CYP2A6 (0.52) CYP2A6CYP1A2TDP1ACHEFLT3
SCHEMBL12054396 0.84 CYP2A6 (0.67) CYP2A6CYP1A2TDP1ACHERAB9A
SCHEMBL12054398 0.84 CYP2A6 (0.67) CYP2A6CYP1A2TDP1ACHERAB9A
SCHEMBL13241091 0.84 HSD17B1 (0.63) CYP2A6CYP1A2ACHERAB9AHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-12-08 US disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
EP-3582789-B1 MULTIVALENT FUCOSE DERIVATIVES FOR USE AS A DRUG UNIV NANTES (FR) 2022-06-22 EP disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
WO-2020121577-A1 EPOXY COMPOUND JNC株式会社 2020-06-18 WO disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
EP-2966077-B1 CHALCOGEN-CONTAINING ORGANIC COMPOUND AND USE THEREFOR JNC CORP (JP) 2020-04-01 EP disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed
EP-0201201-B1 AMIDO SUBSTITUTED DIVALENT CHALCOGENIDE FOG INHIBITING AGENTS FOR SILVER HALIDE PHOTOGRAPHY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-01-02 EP disclosed
EP-0149588-A2 N-(naphthyl-alkyl)-hydroxylamines SANDOZ AG (CH) 1985-07-24 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885CYP1A2 3639/4885TDP1 707/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP2A6 1430/4885CYP1A2 572/4885TDP1 2750/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 CYP2A6 1601/4885CYP1A2 1023/4885TDP1 1502/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885CYP1A2 3639/4885TDP1 707/4885
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CCNA1, CRY2 CYP2A6 438/4885CYP1A2 28/4885TDP1 3498/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CYP2A6 1025/4885CYP1A2 1188/4885TDP1 2932/4885

“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.