SCHEMBL4929370

SCHEMBL4929370

Cc1cc(=O)oc2cc(CCO)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 1/20 0.61
CA5A P35218 1/20 0.61
ALDH1A1 P00352 10/20 0.59
HPGD P15428 8/20 0.59
HSD17B10 Q99714 8/20 0.59
KDM4E B2RXH2 8/20 0.59
GLA P06280 5/20 0.59
GAA P10253 4/20 0.59
CA12 O43570 4/20 0.59
CASP1 P29466 3/20 0.59
CASP7 P55210 3/20 0.59
MAOB P27338 3/20 0.59
AKR1B1 P15121 2/20 0.59
MCL1 Q07820 2/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
UGT1A1 P22309 1/20 0.59

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
SCHEMBL17358708 0.87 CA9 (0.64) CA9CA1CA2CA5AALDH1A1
SCHEMBL25245766 0.84 CA9 (0.57) CA9CA1CA2CA5AALDH1A1
SCHEMBL4609492 0.84 KDM4E (0.61) CA9CA1CA2CA5AALDH1A1
SCHEMBL8388797 0.82 CA9 (0.66) CA9CA1CA2CA5AALDH1A1
SCHEMBL27802915 0.82 CA9 (0.62) CA9CA1CA2CA5AALDH1A1
SCHEMBL1362612 0.81 ALDH1A1 (0.62) CA9CA1CA2CA5AALDH1A1
SCHEMBL25248391 0.81 CA9 (0.54) CA9CA1CA2CA5AALDH1A1
SCHEMBL11180486 0.81 CA9 (0.64) CA9CA1CA2CA5AALDH1A1
SCHEMBL10709372 0.80 ALDH1A1 (0.61) CA9CA1CA2CA5AALDH1A1
SCHEMBL25287733 0.80 CA9 (0.53) CA9CA1CA2CA5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 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 (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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT CA9 2007/4885CA1 1732/4885CA2 3212/4885

“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.