SCHEMBL765113

SCHEMBL765113

CC(C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2D6 P10635 1/20 0.58
ALOX5 P09917 1/20 0.55
TSHR P16473 2/20 0.50
LTA4H P09960 2/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
FAAH O00519 1/20 0.47
AKR1C3 P42330 1/20 0.46
ACACB O00763 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
SCHEMBL30358257 1.00 PTGS1 (0.66) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL123764 0.94 PTGS1 (0.58) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11063307 0.94 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL30345552 0.94 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL15849013 0.91 PTGS1 (0.55) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL8636829 0.90 PTGS1 (0.54) PTGS1MEN1KMT2ACYP2D6ALOX5
Diphenylether SCHEMBL28334518 0.87 LTA4H (0.60) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL14020499 0.86 SMN1; SMN2 (0.58) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL257802 0.86 ALDH1A1 (0.53) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL9703616 0.85 PTGS1 (0.53) PTGS1MEN1KMT2ACYP2D6ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
WO-2023142996-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT 上海岸阔医药科技有限公司 2023-08-03 WO disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 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 (5 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV PTGS1 1431/4885MEN1 2072/4885KMT2A 3333/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO PTGS1 737/4885MEN1 4787/4885KMT2A 4246/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF PTGS1 3571/4885MEN1 4272/4885KMT2A 545/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 PTGS1 186/4885MEN1 763/4885KMT2A 2416/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC PTGS1 1090/4885MEN1 3636/4885KMT2A 4274/4885

“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.