SCHEMBL2888432

SCHEMBL2888432

O=[N+]([O-])c1c(CO)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CYP3A4 P08684 1/20 0.56
NCEH1 Q6PIU2 1/20 0.49
ALDH1A1 P00352 2/20 0.47
S100A4 P26447 1/20 0.46
HNF4A P41235 3/20 0.46
HSP90AA1 P07900 2/20 0.46
HPRT1 P00492 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RXRA P19793 1/20 0.41
CASP6 P55212 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL29660190 0.87 CYP3A4 (0.59) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL12363753 0.86 TSHR (0.64) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL29844402 0.84 TSHR (0.57) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL11350432 0.84 TSHR (0.57) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL31016523 0.82 TSHR (0.51) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL7057106 0.81 TSHR (0.54) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL8576110 0.81 TSHR (0.58) TSHRCYP3A4NCEH1ALDH1A1S100A4
SCHEMBL8439887 0.80 S100A4 (0.43) TSHRCYP3A4ALDH1A1S100A4
SCHEMBL24151153 0.80 CHEK1 (0.39) TSHRCYP3A4NCEH1S100A4HNF4A
SCHEMBL9638921 0.80 TSHR (0.53) TSHRCYP3A4NCEH1ALDH1A1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN claimed
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN claimed
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
CN-103201270-A P2x4 receptor antagonist NIPPON CHEMIPHAR CO 2013-07-10 CN disclosed
CN-101918352-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase STERIX LTD 2010-12-15 CN disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
CN-1054836-A Automatic deposition emulsion and the method for the metal surface being carried out selective protection with this emulsion GRACE W R & CO (US) 1991-09-25 CN disclosed
WO-1991008840-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1991-06-27 WO disclosed
EP-0337258-A2 Light sensitive compositions for light sensitive coating materials and processes for obtaining relief patterns and images BASF Aktiengesellschaft (DE) 1989-10-18 EP disclosed
US-4822866-A PLASMA RESISTANT PHOTORESISTS; REMOVABLE WITH WEAK ALKALINE SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4812542-A PHOTORESISTS, LIGHT-SENSITIVE COATINGS BASF AKTIENGESELLSCHAFT (DE) 1989-03-14 US disclosed
US-4808682-A BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
EP-0276709-A2 Copolymers with O-nitrocarbionol ester groups, their use and process for preparing semiconductor elements BASF Aktiengesellschaft (DE) 1988-08-03 EP disclosed
US-4632900-A Process for the production of images after electrodeposition of positive photoresist on electrically conductive surface CIBA-GEIGY CORPORATION (US) 1986-12-30 US disclosed
EP-0155231-A2 Image-producing process CIBA-GEIGY AG (CH) 1985-09-18 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 (1 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 TSHR 669/4885CYP3A4 101/4885NCEH1 182/4885

“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.