SCHEMBL14315259

SCHEMBL14315259

COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.74
▸ MAPT P10636 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ LMNA P02545 4/20 0.69
▸ HTT P42858 1/20 0.68
▸ TXNRD1 Q16881 1/20 0.68
▸ TXNRD3 Q86VQ6 1/20 0.68
▸ TXNRD2 Q9NNW7 1/20 0.68
▸ TNFRSF1A P19438 2/20 0.67
▸ ABCG2 Q9UNQ0 4/20 0.66
▸ MAOB P27338 1/20 0.65
▸ NTSR1 P30989 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TRPV1 Q8NER1 1/20 0.59
▸ KRAS P01116 2/20 0.59
▸ CYP1A1 P04798 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP1B1 Q16678 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
SCHEMBL15807308 0.91 ALDH1A1 (0.67) ABCB1MAPTALDH1A1LMNAHTT
SCHEMBL29803074 0.91 MAPT (0.79) ABCB1MAPTALDH1A1LMNAHTT
SCHEMBL21643392 0.91 MAPT (0.79) ABCB1MAPTALDH1A1LMNAHTT
SCHEMBL14318108 0.88 MAPT (0.79) ABCB1MAPTALDH1A1LMNAHTT
SCHEMBL15807747 0.86 KRAS (0.77) ABCB1MAPTALDH1A1LMNATNFRSF1A
SCHEMBL14306012 0.85 MAPT (0.76) MAPTALDH1A1LMNAHTTTXNRD1
SCHEMBL15807401 0.85 TXNRD1 (0.64) ABCB1MAPTALDH1A1LMNAHTT
SCHEMBL14306019 0.84 MAPT (0.91) MAPTALDH1A1LMNAHTTTXNRD1
SCHEMBL15795550 0.84 TXNRD1 (0.84) ABCB1MAPTALDH1A1LMNAHTT
SCHEMBL15795549 0.84 TXNRD1 (0.84) ABCB1MAPTALDH1A1LMNAHTT

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
EP-3333153-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2018-06-13 — — EP disclosed
US-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER HUMAN SERVICES (US) 2014-06-19 — — US disclosed
WO-2012174436-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-12-20 — — 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 (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-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER AR, NCOA1, NR5A1 ABCB1 934/4885MAPT 4183/4885ALDH1A1 902/4885

“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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