SCHEMBL14306012

SCHEMBL14306012

COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.76
▸ ALDH1A1 P00352 6/20 0.76
▸ LMNA P02545 3/20 0.76
▸ MAOB P27338 5/20 0.73
▸ MAOA P21397 1/20 0.73
▸ TXNRD1 Q16881 1/20 0.71
▸ TXNRD3 Q86VQ6 1/20 0.71
▸ TXNRD2 Q9NNW7 1/20 0.71
▸ NFE2L2 Q16236 1/20 0.70
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ CYP1B1 Q16678 2/20 0.63
▸ HSPD1 P10809 1/20 0.63
▸ TNFRSF1A P19438 1/20 0.63
▸ HSPE1 P61604 1/20 0.63
▸ TRPV1 Q8NER1 1/20 0.61
▸ HTT P42858 2/20 0.61
▸ TGM2 P21980 1/20 0.60
▸ F3 P13726 1/20 0.59
▸ BCHE P06276 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
SCHEMBL14249346 0.90 MAPT (0.76) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL14249344 0.90 MAPT (0.76) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL14306019 0.89 MAPT (0.91) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL15807325 0.86 MAPT (0.70) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL15807305 0.86 MAPT (0.78) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL14315259 0.85 ABCB1 (0.74) MAPTALDH1A1LMNAMAOBTXNRD1
SCHEMBL9779399 0.84 MAPT (0.80) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL10658782 0.84 MAOB (1.00) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL9779404 0.84 MAPT (0.80) MAPTALDH1A1LMNAMAOBMAOA
SCHEMBL14435873 0.84 MAOB (1.00) MAPTALDH1A1LMNAMAOBMAOA

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 MAPT 4183/4885ALDH1A1 902/4885LMNA 1562/4885

“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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