SCHEMBL5354486

SCHEMBL5354486

CC(C)(C)OC(=O)N[C@@H](COc1cc(OCc2ccccc2)ccc1Br)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.44
PPARA Q07869 2/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
PTPN1 P18031 5/20 0.43
LTA4H P09960 1/20 0.41
CTSS P25774 1/20 0.41
ACACB O00763 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
YAP1 P46937 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL20439435 1.00 BCL2 (0.44) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL20439315 0.95 PTPN1 (0.41) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL20439384 0.94 PTPN1 (0.43) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL20439397 0.83 BCL2 (0.43) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL20439399 0.83 BCL2 (0.43) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL1553475 0.81 PRKCA (0.54) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL5350616 0.81 PRKCA (0.54) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL13802917 0.80 FFAR1 (0.53) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL5205611 0.80 FFAR1 (0.53) BCL2PPARAPRKCAPRKCDPTPN1
SCHEMBL20439373 0.78 AAK1 (0.43) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 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 (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-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG BCL2 1284/4885PPARA 332/4885PRKCA 4240/4885
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain HSD17B11, CYP19A1, SHBG BCL2 1310/4885PPARA 286/4885PRKCA 3383/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG BCL2 1378/4885PPARA 302/4885PRKCA 3444/4885

“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.