SCHEMBL5084154

SCHEMBL5084154

COc1cccc(C=CC(=O)c2ccccc2)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.78
NPC1 O15118 3/20 0.78
LMNA P02545 2/20 0.78
RAB9A P51151 2/20 0.78
BCHE P06276 1/20 0.78
MAOB P27338 2/20 0.68
NR1H4 Q96RI1 2/20 0.67
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP1A1 P04798 2/20 0.62
CYP1B1 Q16678 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
RECQL P46063 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.59

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
SCHEMBL5084150 1.00 MAPT (0.78) MAPTNPC1LMNARAB9ABCHE
SCHEMBL19870465 0.90 MAOB (0.79) MAPTNPC1LMNARAB9ABCHE
SCHEMBL5452643 0.89 MAOB (0.77) MAPTNPC1LMNARAB9ABCHE
SCHEMBL5452645 0.89 MAOB (0.77) MAPTNPC1LMNARAB9ABCHE
SCHEMBL20608557 0.88 MAPT (0.68) MAPTNPC1LMNARAB9ABCHE
SCHEMBL1723179 0.88 MAPT (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL1723180 0.88 MAPT (1.00) MAPTNPC1LMNARAB9ABCHE
SCHEMBL5087959 0.87 MAPT (0.78) MAPTNPC1LMNARAB9ABCHE
SCHEMBL5087949 0.87 MAPT (0.78) MAPTNPC1LMNARAB9ABCHE
SCHEMBL4026900 0.85 LMNA (0.78) MAPTNPC1LMNARAB9ABCHE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562803-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA Università degli Studi di Roma "La Sapienza" (IT) 2019-11-06 EP disclosed
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2018122689-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2018-07-05 WO disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO 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 (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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAPT 4566/4885NPC1 362/4885LMNA 4191/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAPT 4210/4885NPC1 4155/4885LMNA 2177/4885

“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.