SCHEMBL3317705

SCHEMBL3317705

C=CCOc1ccc(OC)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
TSHR P16473 1/20 0.65
FLT3 P36888 1/20 0.57
POLB P06746 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
LIG1 P18858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
APEX1 P27695 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2902590 0.90 FLT3 (0.66) GAATSHRFLT3POLBKDM4E
SCHEMBL18614861 0.89 GAA (0.70) GAATSHRFLT3POLBKDM4E
SCHEMBL13596084 0.88 FLT3 (0.57) GAATSHRFLT3POLBKDM4E
SCHEMBL20802691 0.88 GAA (0.52) GAATSHRFLT3POLBKDM4E
SCHEMBL642762 0.87 FLT3 (0.60) GAATSHRFLT3KDM4EALDH1A1
SCHEMBL10823332 0.86 KDM4E (0.61) GAATSHRFLT3KDM4EALDH1A1
SCHEMBL28948110 0.84 KDM4E (0.54) GAATSHRPOLBKDM4EALDH1A1
SCHEMBL30293692 0.84 KDM4E (0.54) GAATSHRPOLBKDM4EALDH1A1
SCHEMBL8168167 0.82 TSHR (0.68) GAATSHRFLT3POLBKDM4E
SCHEMBL3319882 0.82 GAA (0.68) GAATSHRFLT3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034671-B2 Apoptosis signal-regulating kinase inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-15 US disclosed
US-20200283404-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-09-10 US disclosed
WO-2019051265-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-03-14 WO disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
EP-2136624-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2009-12-30 EP disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 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 (3 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-20200283404-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF DAPK1, ATF1, BAD GAA 4012/4885TSHR 3606/4885FLT3 1304/4885
US-11034671-B2 Apoptosis signal-regulating kinase inhibitors and uses thereof DAPK1, ATF1, BAD GAA 4012/4885TSHR 3606/4885FLT3 1304/4885
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS ABCB11, TSPO, AADAC GAA 61/4885TSHR 3962/4885FLT3 4214/4885

“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.