SCHEMBL3515908

SCHEMBL3515908

CCCCCCCO[C]O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 6/20 0.43
LPAR2 Q9HBW0 5/20 0.43
LPAR1 Q92633 2/20 0.43
NAAA Q02083 1/20 0.43
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CES2 O00748 1/20 0.41
GBA1 P04062 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3520133 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL3517258 1.00
SCHEMBL3517630 0.97
SCHEMBL3517705 0.89
SCHEMBL20658161 0.78 THRB (0.47) THRBMEN1KMT2AHTTMAPT
SCHEMBL3520416 0.77
SCHEMBL8940060 0.76
SCHEMBL25352928 0.74 THRB (0.42) THRBMEN1KMT2AHTTMAPT
SCHEMBL21891898 0.74 THRB (0.42) THRBMEN1KMT2AHTTMAPT
SCHEMBL77312 0.74 CA1 (0.43) THRBMEN1KMT2AHTTLPAR3

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 9 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
EP-2221309-B1 NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2013-07-24 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8354426-B2 Naphthyridine derivative monohydrate and method for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 2013-01-15 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-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
EP-2221309-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME Toyama Chemical Co., Ltd. (JP) 2010-08-25 EP disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US 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-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME QDPR, NDC1, NRDC THRB 4581/4885MEN1 2983/4885KMT2A 2977/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 THRB 3857/4885MEN1 1840/4885KMT2A 588/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 THRB 3873/4885MEN1 1844/4885KMT2A 591/4885

“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.