SCHEMBL5579742

SCHEMBL5579742

CC1C(=O)c2ccccc2OC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
RET P07949 1/20 0.50
KDR P35968 1/20 0.50
CYP19A1 P11511 5/20 0.49
MAOB P27338 4/20 0.49
ADORA3 P0DMS8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AR P10275 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
DNMT3B Q9UBC3 1/20 0.39

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
SCHEMBL11043870 1.00 ESR1 (0.56) ESR1RETKDRCYP19A1MAOB
SCHEMBL7522409 0.88 ESR1 (0.56) ESR1RETKDRCYP19A1MAOB
SCHEMBL5579748 0.88 ESR1 (0.56) ESR1RETKDRCYP19A1MAOB
SCHEMBL24227321 0.81 ESR1 (0.68) ESR1CYP19A1MAOBAR
SCHEMBL4360680 0.81 ESR1 (0.86) ESR1CYP19A1MAOBADORA3KDM4E
SCHEMBL28186146 0.80 RET (0.51) RETKDRCYP19A1MAOBADORA3
SCHEMBL16376660 0.80 ESR1 (0.55) ESR1RETKDRCYP19A1MAOB
SCHEMBL92288 0.79 ESR1 (0.45) ESR1RETKDRCYP19A1MAOB
SCHEMBL9434848 0.79 ESR1 (0.45) ESR1RETKDRCYP19A1MAOB
SCHEMBL8702376 0.79 ESR1 (0.45) ESR1RETKDRCYP19A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-20100152285-A1 Flavononol Renin Inhibitor Compounds and Methods of Use Thereof HERBALSCIENCE GROUP LLC (US) 2010-06-17 US disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US disclosed
US-20090092624-A1 Antiinfective Flavononol Compounds and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2009-04-09 US disclosed
US-20070299032-A1 Method and Composition for Thickening Hair SHISEIDO COMPANY, LTD. (JP) 2007-12-27 US disclosed
US-20070184098-A1 Esters of flavonoids with w-substituted c6-c22 fatty acids COGNIS FRANCE S.A. (FR) 2007-08-09 US disclosed
CN-1878530-A Method and composition for hair thickening SHISEIDO CO LTD (JP) 2006-12-13 CN disclosed
EP-1683509-A1 METHOD AND COMPOSITION FOR HAIR THICKENING SHISEIDO COMPANY, LTD. (JP) 2006-07-26 EP disclosed
EP-0025599-B1 BENZOPYRAN COMPOUNDS, USEFUL AS CHEMOTHERAPEUTIC AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-19 EP disclosed
US-4452991-A OR BENZO(B)INDENO (2,1-E) PYRANS OR BENZO(C)XANTHENES BATCHELOR JOHN F (GB) 1984-06-05 US disclosed
EP-0025599-A1 Benzopyran compounds, useful as chemotherapeutic agents THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 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 (4 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-20100152285-A1 Flavononol Renin Inhibitor Compounds and Methods of Use Thereof REN, ACE, AGT ESR1 2912/4885RET 2710/4885KDR 1306/4885
US-20090092624-A1 Antiinfective Flavononol Compounds and Methods of Use Thereof MPO, VIP, FABP2 ESR1 2919/4885RET 4882/4885KDR 4873/4885
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL ESR1 67/4885RET 2773/4885KDR 4039/4885
US-20070184098-A1 Esters of flavonoids with w-substituted c6-c22 fatty acids FADS1, FADS2, FASN ESR1 515/4885RET 4822/4885KDR 2369/4885

“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.