SCHEMBL4773227

SCHEMBL4773227

COC(=O)C(C)Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
ACACB O00763 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL13534767 0.86 ESR1 (0.46) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL12493852 0.84 KMT2A (0.48) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL15314148 0.84 ESR1 (0.65) KMT2ANPC1RAB9AESR1ESR2
SCHEMBL6575139 0.84 ATM (0.50) NPC1RAB9ATDP1ACACBESR1
SCHEMBL14564293 0.84 ATM (0.50) NPC1RAB9ATDP1ACACBESR1
SCHEMBL13534766 0.84 ESR1 (0.47) NPC1RAB9ATDP1ACACBESR1
SCHEMBL5546946 0.84 ESR1 (0.65) KMT2ANPC1RAB9AESR1ESR2
SCHEMBL6946548 0.84 PTPRB (0.58) KMT2AMEN1HDAC1HDAC6TDP1
SCHEMBL14590363 0.84 ATM (0.50) NPC1RAB9ATDP1ACACBESR1
SCHEMBL12142729 0.84 ALDH1A1 (0.48) KMT2AMEN1RAB9AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678859-A Dihydropyrimidines and its application in drug 广东东阳光药业有限公司 2019-04-26 CN disclosed
CN-109111451-A Dihydropyrimidines and its application in drug 广东东阳光药业有限公司 2019-01-01 CN disclosed
CN-103764661-A Novel pyrimidine derivative and pharmaceutical composition containing same as active ingredient HANMI PHARM IND CO LTD 2014-04-30 CN disclosed
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed
US-20100035988-A1 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-02-11 US disclosed
US-7626054-B2 Biaromatic compounds which activate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-17 US disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA KMT2A 3190/4885MEN1 4699/4885NPC1 1252/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KMT2A 1240/4885MEN1 786/4885NPC1 4578/4885
US-20100035988-A1 Methods for activating PPAR gamma-type receptors PPARG, PPARA, PPARD KMT2A 3011/4885MEN1 4868/4885NPC1 1103/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885MEN1 1171/4885NPC1 4576/4885

“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.