SCHEMBL8516023

SCHEMBL8516023

C=CCOc1ccc2oc(=O)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 1.00
▸ CA9 Q16790 11/20 1.00
▸ CA1 P00915 9/20 1.00
▸ CA4 P22748 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ ALOX15 P16050 2/20 0.58
▸ CYP2A6 P11509 2/20 0.58
▸ AGER Q15109 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ MTNR1A P48039 1/20 0.55
▸ CA6 P23280 3/20 0.51
▸ CA7 P43166 3/20 0.51
▸ CA14 Q9ULX7 3/20 0.51
▸ CA5B Q9Y2D0 3/20 0.51
▸ CA5A P35218 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ MAOB P27338 1/20 0.49

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
7-Allyloxycoumarin SCHEMBL4765530 0.89 CA12 (1.00) CA12CA9CA1CA4ALDH1A1
SCHEMBL8512294 0.82 CA12 (1.00) CA12CA9CA1CA4ALDH1A1
SCHEMBL17898116 0.81 KDM4E (0.82) CA12CA9CA1CA4ALDH1A1
SCHEMBL3825460 0.80 CA12 (0.64) CA12CA9CA1ALDH1A1GAA
SCHEMBL11036182 0.80 CA9 (0.79) CA12CA9CA1CA4ALDH1A1
SCHEMBL28315405 0.80 CA12 (0.66) CA12CA9CA1CA4ALDH1A1
SCHEMBL14634127 0.80 CA12 (0.66) CA12CA9CA1CA4ALDH1A1
SCHEMBL23963403 0.77 CA12 (0.70) CA12CA9CA1CA4ALDH1A1
SCHEMBL3584796 0.77 CYP2A6 (0.69) CA12CA9CA1CA4ALDH1A1
SCHEMBL13073997 0.77 CA9 (0.80) CA12CA9CA1CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771488-B1 CARBONIC ANHYDRASE IX-RELATED MARKERS AND USE THEREOF SIGNALCHEM LIFESCIENCES CORP (CA) 2018-03-28 — — EP claimed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — US claimed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 — — WO claimed
US-20210301078-A1 COMPOSITIONS AND METHODS OF MAKING POLYMERIZING NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-30 — — US disclosed
US-10980744-B2 High density peptide polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-20 — — US disclosed
US-20180042843-A1 HIGH DENSITY PEPTIDE POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-02-15 — — US disclosed
US-20180042843-A1 HIGH DENSITY PEPTIDE POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-02-15 — — US disclosed
US-9388155-B1 Coumarin derivatives for cancer therapy WELLESLEY COLLEGE (US) 2016-07-12 — — US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — US disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 — — WO disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 — — WO 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 (4 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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 CA12 10/4885CA9 4/4885CA1 5/4885
US-20180042843-A1 HIGH DENSITY PEPTIDE POLYMERS ERMP1, PARL, PRAP1 CA12 3177/4885CA9 4100/4885CA1 2979/4885
US-10980744-B2 High density peptide polymers IAPP, LCP1, LNPEP CA12 2572/4885CA9 3504/4885CA1 2862/4885
US-20210301078-A1 COMPOSITIONS AND METHODS OF MAKING POLYMERIZING NUCLEIC ACIDS RNGTT, NSUN2, POLN CA12 1376/4885CA9 1078/4885CA1 1847/4885

“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.

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