SCHEMBL4931181

SCHEMBL4931181

Cc1cc(=O)oc2c3c(ccc12)OCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.55
▸ CYP1B1 Q16678 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ GAA P10253 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.51
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MGAM O43451 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ SI P14410 1/20 0.49
▸ ALOX15 P16050 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
SCHEMBL9463848 0.77 PDE4D (0.60) CYP1A2CYP1B1ALDH1A1GAALMNA
SCHEMBL5848282 0.72 KDM4E (0.50) CYP1A2ALDH1A1GAAHPGDLMNA
SCHEMBL19313330 0.70 DPP4 (0.64) CYP1A2CYP1B1ALDH1A1GAAHPGD
SCHEMBL22135594 0.70 DPP4 (0.56) CYP1A2CYP1B1ALDH1A1GAAHPGD
SCHEMBL19313331 0.70 DPP4 (0.64) CYP1A2CYP1B1ALDH1A1GAAHPGD
SCHEMBL31573923 0.68 MAOA (0.40) CYP1A2ALDH1A1GAAHPGDLMNA
SCHEMBL12608757 0.68 ALDH1A1 (0.34) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL7478427 0.67 MAOA (0.51) CYP1A2CYP1B1ALDH1A1GAAHPGD
SCHEMBL5546114 0.66 MAOA (0.42) ALDH1A1KMT2AMEN1MAOB
SCHEMBL14824859 0.66 MAOA (0.39) ALDH1A1GAAHPGDSMN1; SMN2MAOB

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 CYP1A2 20/4885CYP1B1 32/4885ALDH1A1 181/4885

“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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