SCHEMBL11044633

SCHEMBL11044633

O=C(O)c1ccccc1C(O)(O)c1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ALOX15 P16050 2/20 0.59
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
CA6 P23280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL538689 0.89 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL6707004 0.88 MYC (0.49) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL8402762 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL31186401 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9120488 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL15367604 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL29699699 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL4850365 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL15524426 0.81 ALDH1A1 (0.48) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL14234964 0.81 ALDH1A1 (0.48) ALDH1A1ALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-8445537-B2 Compounds that inhibit human DNA ligases and methods of treating cancer STC.UNM (US) 2013-05-21 US disclosed
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US disclosed
US-4562242-A Branched polycarbonate from carboxy containing diphenol GENERAL ELECTRIC COMPANY (US) 1985-12-31 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-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 ALDH1A1 2436/4885ALOX15 3684/4885CA12 4599/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 ALDH1A1 2436/4885ALOX15 3684/4885CA12 4599/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 ALDH1A1 2436/4885ALOX15 3684/4885CA12 4599/4885

“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.