SCHEMBL3583560

SCHEMBL3583560

COc1cc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
TSHR P16473 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 4/20 0.43
SYK P43405 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL12303132 0.78 KDM4E (0.60) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL3593087 0.78 FYN (0.48) MAPTKDM4EALDH1A1HSD17B10LMNA
SCHEMBL16385157 0.75 MAPT (0.48) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL1447735 0.74 TSHR (0.43) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL1119449 0.74 TSHR (0.47) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL12848600 0.74 TSHR (0.51) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL12112752 0.73 KIT (0.47) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL12112567 0.73 TSHR (0.46) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL12848874 0.73 ALDH1A1 (0.52) MAPTTSHRKDM4EALDH1A1HSD17B10
SCHEMBL12112819 0.72 TSHR (0.52) MAPTTSHRKDM4EALDH1A1HSD17B10

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
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
CN-101454285-B Oxadiazole derivatives as comt inhibitors PORTELA & CA SA 2012-06-27 CN disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
CN-101454285-A Oxadiazole derivatives as comt inhibitors PORTELA & CA SA (PT) 2009-06-10 CN disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 MAPT 310/4885TSHR 4337/4885KDM4E 3648/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MAPT 310/4885TSHR 4337/4885KDM4E 3648/4885

“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.