SCHEMBL10309779

SCHEMBL10309779

CCc1cc(C(=O)OC)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
XDH P47989 1/20 0.52
MAPT P10636 6/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
NOTUM Q6P988 1/20 0.49
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL15337170 0.88 PPARG (0.51) ALDH1A1TDP1CA1CA2CA12
SCHEMBL12788053 0.87 ALDH1A1 (0.56) ALDH1A1TDP1CA1CA2CA12
SCHEMBL17083281 0.86 LOXL2 (0.56) ALDH1A1TDP1CA1CA2CA12
SCHEMBL14622438 0.86 ALDH1A1 (0.51) ALDH1A1TDP1CA1CA2CA12
SCHEMBL7718912 0.86 ALDH1A1 (0.51) ALDH1A1TDP1CA1CA2CA12
SCHEMBL29934082 0.86 LOXL2 (0.56) ALDH1A1TDP1CA1CA2CA12
SCHEMBL17811367 0.86 ALDH1A1 (0.51) ALDH1A1TDP1CA1CA2CA12
SCHEMBL14175211 0.85 TDP1 (0.52) ALDH1A1TDP1CA1CA2CA12
SCHEMBL13438864 0.85 CA12 (0.61) ALDH1A1CA1CA2CA12CA7
SCHEMBL31359375 0.85 ALDH1A1 (0.48) ALDH1A1TDP1CA1CA2CA12

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
US-20230227412-A1 Substituted Benzimidazole Derivative And Use Thereof CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2023-07-20 US disclosed
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20170152287-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS UNIVERSITY OF ROCHESTER 2017-06-01 US disclosed
US-9557336-B2 Methods and compositions for site-specific labeling of peptides and proteins UNIVERSITY OF ROCHESTER (US) 2017-01-31 US disclosed
US-20150241440-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS NATIONAL SCIENCE FOUNDATION 2015-08-27 US disclosed
US-20150045387-A1 Bi-Aromatic And Tri-Aromatic Compounds As NADPH Oxidase 2 (Nox2) Inhibitors THE UNIVERSITY OF SURREY (GB) 2015-02-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 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 (6 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-20170152287-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS PTMS, ACP1, QPCTL ALDH1A1 3945/4885TDP1 3238/4885CA1 1869/4885
US-20150045387-A1 Bi-Aromatic And Tri-Aromatic Compounds As NADPH Oxidase 2 (Nox2) Inhibitors NOX4, CYBB, NOX1 ALDH1A1 524/4885TDP1 1081/4885CA1 3940/4885
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT ALDH1A1 163/4885TDP1 1275/4885CA1 1060/4885
US-20150241440-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS PTMS, ACP1, QPCTL ALDH1A1 3945/4885TDP1 3238/4885CA1 1869/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885TDP1 3483/4885CA1 1729/4885
US-20230227412-A1 Substituted Benzimidazole Derivative And Use Thereof PPARD, PPARG, PPARA ALDH1A1 674/4885TDP1 1078/4885CA1 3890/4885

“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.