SCHEMBL3593087

SCHEMBL3593087

COc1cc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.48
GAA P10253 2/20 0.47
RECQL P46063 1/20 0.47
GFER P55789 1/20 0.47
POLB P06746 1/20 0.47
APP P05067 1/20 0.46
BRAF P15056 1/20 0.45
CXCL12 P48061 1/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.44
RAB9A P51151 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
IDO1 P14902 2/20 0.43
JAK2 O60674 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
SCHEMBL3579413 0.79 SMN1; SMN2 (0.42) GAARECQLPOLBSMN1; SMN2KDM4E
SCHEMBL16385157 0.79 MAPT (0.48) GAAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL16581413 0.78 POLB (0.59) FYNGAAPOLBAPPHPGD
SCHEMBL16385298 0.78 HSD17B1 (0.53)
SCHEMBL3583560 0.78 MAPT (0.53) POLBHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL326628 0.75 COMT (0.46) POLBHPGDALDH1A1MAPTLMNA
SCHEMBL6716512 0.72 SDHB (0.65) KDM4EALDH1A1MAPTRAB9ALMNA
SCHEMBL21944828 0.72 IDH1 (0.43) HPGDSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL5471022 0.72 FYN (0.59) FYNGAARECQLGFERPOLB
SCHEMBL3693339 0.72 MAOB (0.67) FYNGAARECQLGFERPOLB

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
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
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US 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 FYN 1684/4885GAA 1098/4885RECQL 2847/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 FYN 1684/4885GAA 1098/4885RECQL 2847/4885

“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.