SCHEMBL18204279

SCHEMBL18204279

Cc1cc(-c2cc(C#N)cc(C#N)c2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PGR P06401 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ AR P10275 1/20 0.36

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
SCHEMBL4303038 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL152218 0.78 ALDH1A1 (0.46) MEN1TTRALBKMT2AALDH1A1
SCHEMBL18220687 0.74 MAOB (0.47) MEN1TTRALBKMT2APGR
SCHEMBL17051408 0.74 ALDH1A1 (0.58) PGRALDH1A1AR
SCHEMBL14139943 0.73 KIF11 (0.47) ALDH1A1TSHR
SCHEMBL26555707 0.73 CTSK (0.40) PGRAR
SCHEMBL12440897 0.71 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL24608790 0.71 CRHBP (0.47) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL15678829 0.71 CRHBP (0.47) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL22127111 0.70 CYP11B1 (0.45) MEN1KMT2APGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160329504-A1 AROMATIC DERIVATIVES HAVING ELECTRON DONATING GROUP AND ELECTRON ACCEPTING GROUP AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2016-11-10 — — 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 (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-20160329504-A1 AROMATIC DERIVATIVES HAVING ELECTRON DONATING GROUP AND ELECTRON ACCEPTING GROUP AND ORGANIC LIGHT EMITTING DIODE USING THE SAME OCIAD1, OCIAD2, DRD2 MEN1 4510/4885TTR 4001/4885ALB 3311/4885

“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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