SCHEMBL205849

SCHEMBL205849

CSCCCOc1cc(C)c(B(O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.35
PDIA6 Q15084 1/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 2/20 0.33
ESR1 P03372 1/20 0.33
ESRRG P62508 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8405355 0.81 LTA4H (0.50) MEN1NPC1RAB9AKMT2ATP53
SCHEMBL21168636 0.80 KMT2A (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16532784 0.79 MAPK1 (0.37) MEN1KMT2AMCL1PDIA6TP53
SCHEMBL204295 0.77 ALDH1A1 (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3936080 0.77 RAB9A (0.62) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3631805 0.75 NCF1 (0.41) MEN1KMT2AMCL1POLBTHRA
SCHEMBL29952923 0.74 NQO1 (0.46) MEN1NPC1KMT2ATP53TSHR
SCHEMBL16532842 0.74 FFAR1 (0.46) PDIA6
SCHEMBL13638790 0.73 NPC1 (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15770758 0.73 VDR (0.39) MCL1PDIA6TSHRCYP1A2POLB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US disclosed
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US disclosed
EP-2743268-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
EP-2248812-B1 FUSED CYCLIC COMPOUNDS AS GPR40 RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL (JP) 2013-12-25 EP disclosed
US-8598226-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-03 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-20130267589-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-10-10 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2041123-A2 FUSED CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-01 EP disclosed
WO-2008001931-A2 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-03 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 (5 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-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS GPR119, GLP1R, INSR MEN1 3160/4885NPC1 2598/4885RAB9A 1800/4885
US-20140080891-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 MEN1 1279/4885NPC1 718/4885RAB9A 2212/4885
US-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 MEN1 1279/4885NPC1 718/4885RAB9A 2212/4885
US-20130267589-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 MEN1 1279/4885NPC1 718/4885RAB9A 2212/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 MEN1 1279/4885NPC1 718/4885RAB9A 2212/4885

“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.