SCHEMBL13300950

SCHEMBL13300950

Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 7/20 0.77
▸ CYP1A1 P04798 6/20 0.77
▸ CYP1A2 P05177 6/20 0.77
▸ MEN1 O00255 6/20 0.77
▸ ALDH1A1 P00352 6/20 0.77
▸ MAPT P10636 6/20 0.77
▸ KMT2A Q03164 6/20 0.77
▸ POLH Q9Y253 5/20 0.77
▸ ABCB1 P08183 5/20 0.77
▸ CYP3A4 P08684 5/20 0.77
▸ XDH P47989 4/20 0.77
▸ HDAC6 Q9UBN7 4/20 0.77
▸ IP6K2 Q9UHH9 4/20 0.77
▸ TP53 P04637 4/20 0.77
▸ CYP2D6 P10635 4/20 0.77
▸ CYP2C9 P11712 4/20 0.77
▸ MAOA P21397 4/20 0.77
▸ MAOB P27338 4/20 0.77
▸ CYP2C19 P33261 4/20 0.77
▸ SMN1; SMN2 Q16637 4/20 0.77

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
SCHEMBL11981018 0.89 CYP1B1 (0.77) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL28336941 0.87 POLH (0.94) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL28256564 0.87 POLH (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL20426 0.87 POLH (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL29352380 0.87 POLH (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL30045580 0.87 POLH (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL29376494 0.87 POLH (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL14144968 0.86 POLH (0.58) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL27462842 0.86 MEN1 (0.76) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Luteolin SCHEMBL1659262 0.86 POLH (0.97) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050729-A1 METHODS FOR TREATMENT OF POLYPOSIS MERCK SHARP & DOHME (US) 2014-02-20 — — US disclosed
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 — — 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 (2 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-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 CYP1B1 4850/4885CYP1A1 4730/4885CYP1A2 4691/4885
US-20140050729-A1 METHODS FOR TREATMENT OF POLYPOSIS APC, FAP, MSH2 CYP1B1 3036/4885CYP1A1 3967/4885CYP1A2 4494/4885

“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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