SCHEMBL4129575

SCHEMBL4129575

COC(=O)c1cc(-c2ccco2)on1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
POLB P06746 1/20 0.70
CACNA1B Q00975 1/20 0.70
APBA1 Q02410 1/20 0.70
NPC1 O15118 6/20 0.68
TSHR P16473 2/20 0.68
ALDH1A1 P00352 8/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
HPGD P15428 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 2/20 0.60
GAA P10253 1/20 0.60
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 3/20 0.60
MAPT P10636 3/20 0.60
STAT3 P40763 1/20 0.60
KLK7 P49862 1/20 0.60
HTT P42858 1/20 0.59

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
SCHEMBL1179214 0.84 ALDH1A1 (0.60) RAB9APOLBCACNA1BAPBA1NPC1
SCHEMBL18762172 0.84 RAB9A (1.00) RAB9APOLBCACNA1BAPBA1NPC1
SCHEMBL17777361 0.82 RAB9A (0.64) RAB9APOLBNPC1TSHRALDH1A1
SCHEMBL22639228 0.81 RAB9A (0.61) RAB9APOLBCACNA1BAPBA1NPC1
SCHEMBL25415861 0.81 RAB9A (0.72) RAB9APOLBNPC1TSHRALDH1A1
SCHEMBL28524154 0.80 RAB9A (0.61) RAB9APOLBNPC1TSHRALDH1A1
SCHEMBL569522 0.80 RAB9A (0.61) RAB9APOLBNPC1TSHRALDH1A1
SCHEMBL16373568 0.79 RAB9A (0.77) RAB9APOLBCACNA1BAPBA1NPC1
SCHEMBL892624 0.79 KMT2A (0.61) RAB9APOLBNPC1TSHRALDH1A1
Hydrochloric Acid SCHEMBL19118898 0.79 RAB9A (0.60) RAB9APOLBNPC1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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 (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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 RAB9A 2968/4885POLB 3938/4885CACNA1B 2478/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 RAB9A 2912/4885POLB 3823/4885CACNA1B 2676/4885

“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.