SCHEMBL21035757

SCHEMBL21035757

COc1cccc(/C=C/CCc2cccc(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CHRM2 P08172 3/20 0.54
CHRM1 P11229 3/20 0.54
CHRM3 P20309 3/20 0.54
NFE2L2 Q16236 2/20 0.51
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
CYP19A1 P11511 1/20 0.50
NQO2 P16083 1/20 0.50
GPR52 Q9Y2T5 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL21035187 0.91 CHRM2 (0.52) RELATAAR1CHRM2CHRM1CHRM3
SCHEMBL28251027 0.84 RELA (0.57) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL9005287 0.82 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL9005286 0.82 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL30022662 0.81 NFE2L2 (0.68) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL27996278 0.81 RELA (0.57) RELACHRM2CHRM1CHRM3NFE2L2
SCHEMBL21177028 0.80 ACHE (0.42) TAAR1CHRM2CHRM1CHRM3GPR52
SCHEMBL21177027 0.80 ACHE (0.42) TAAR1CHRM2CHRM1CHRM3GPR52
SCHEMBL30514808 0.80 ACHE (0.42) TAAR1CHRM2CHRM1CHRM3GPR52
SCHEMBL28140894 0.79 RELA (0.56) RELACHRM2CHRM1CHRM3NFE2L2

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
US-20200375949-A1 BISPHENOL COMPOUNDS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-03 US disclosed
US-20200375949-A1 BISPHENOL COMPOUNDS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-03 US disclosed
WO-2019104153-A1 BISPHENOL COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-05-31 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-20200375949-A1 BISPHENOL COMPOUNDS RPP30, RPS10, RPS20 RELA 72/4885TAAR1 4418/4885CHRM2 4606/4885

“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.