SCHEMBL3878331

SCHEMBL3878331

C=CCc1c(O)ccc2c(C)cc(=O)oc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.65
GAA P10253 5/20 0.64
KDM4E B2RXH2 4/20 0.64
GLA P06280 3/20 0.64
HSD17B10 Q99714 3/20 0.61
GFER P55789 1/20 0.61
MAOB P27338 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MCL1 Q07820 2/20 0.60
MGAM O43451 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
SI P14410 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
ERAP1 Q9NZ08 4/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL4333679 0.84 SRD5A1 (0.61) CA9GAAKDM4EGLAHSD17B10
SCHEMBL18155873 0.82 KDM4E (0.67) CA9GAAKDM4EGLAHSD17B10
SCHEMBL11079352 0.80 GAA (0.63) CA9GAAKDM4EGLAHSD17B10
SCHEMBL11384270 0.80 SRD5A1 (0.67) CA9GAAKDM4EGLAHSD17B10
SCHEMBL11440831 0.80 GAA (0.59) CA9GAAKDM4EGLAHSD17B10
SCHEMBL8179535 0.79 ALDH1A1 (0.67) CA9KDM4EHSD17B10MAOBALDH1A1
SCHEMBL7001521 0.79 MAOA (0.63) CA9GAAKDM4EGLAHSD17B10
SCHEMBL28542436 0.78 ERN1 (0.78) CA9GAAKDM4EGLAHSD17B10
SCHEMBL11075633 0.76 KDM4E (0.70) CA9GAAKDM4EGLAHSD17B10
SCHEMBL8684228 0.76 CA9 (0.50) CA9GAAKDM4EGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 US disclosed
US-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 US disclosed
US-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 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
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-20060057658-A1 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-03-16 US disclosed
WO-2006025983-A2 LABELED SUBSTRATE CONJUGATES FOR IDENTIFYING ENZYME INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-03-09 WO disclosed
US-4737517-A Coumarin derivatives, pharmaceutical compositions containing the same, and the use thereof in the treatment of cancer FIDIA, S.P.A. (IT) 1988-04-12 US disclosed
EP-0133766-A2 Coumarin derivatives, pharmaceutical compositions containing the same, and the use thereof in the treatment of cancer FIDIA S.p.A. (IT) 1985-03-06 EP disclosed
EP-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
US-4294847-A 8-Aminoalkyl-4-alkylisopsoralens THOMAS C. ELDER, INC. (US) 1981-10-13 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 2007/4885GAA 67/4885KDM4E 1183/4885

“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.