SCHEMBL18862986

SCHEMBL18862986

CCC(=NN)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 3/20 0.58
HTT P42858 1/20 0.58
ESR1 P03372 1/20 0.53
CYP19A1 P11511 1/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 4/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
CES1 P23141 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
NOS1 P29475 2/20 0.46

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
SCHEMBL18862985 1.00 KMT2A (0.58) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL28587201 0.84 ALDH1A1 (0.56) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL4703427 0.81 CYP1A2 (0.56) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL4703428 0.81 CYP1A2 (0.56) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL27743048 0.81 CYP1A2 (0.56) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL18862977 0.77 MAPK1 (0.60) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL18862976 0.77 MAPK1 (0.60) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL8858950 0.76 MAPK1 (0.59) KMT2AMAPTALDH1A1ESR1CYP19A1
SCHEMBL671514 0.74 GSK3B (0.67) ALDH1A1GAAESR1CYP19A1ESR2
SCHEMBL15057638 0.74 TSHR (0.62) KMT2AMAPTALDH1A1GAAMEN1

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-9845295-B2 Triphenylethylene compounds and uses thereof PURDUE RESEARCH FOUNDATION (US) 2017-12-19 US disclosed
US-20170144975-A1 TRIPHENYLETHYLENE COMPOUNDS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2017-05-25 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-20170144975-A1 TRIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CYP19A1, ESR1, ESRRA KMT2A 296/4885MAPT 3468/4885ALDH1A1 1103/4885

“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.