SCHEMBL21002016

SCHEMBL21002016

COc1cccc(CCCc2cccc(OC)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.71
CHRM2 P08172 2/20 0.71
CHRM1 P11229 2/20 0.71
CHRM3 P20309 2/20 0.71
MTNR1A P48039 2/20 0.63
MTNR1B P49286 2/20 0.63
SIGMAR1 Q99720 2/20 0.62
AOC3 Q16853 1/20 0.62
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HRH3 Q9Y5N1 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
SCHEMBL29986862 1.00 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL21002162 0.96 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL21002124 0.94 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL30080050 0.91 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.91 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL145383 0.90 CHRM2 (0.65) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL6953165 0.89 MAOB (0.64) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL11126109 0.89 TAAR1 (0.64) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL11778348 0.88 CHRM2 (0.63) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL11222500 0.88 CHRM2 (0.63) TAAR1CHRM2CHRM1CHRM3MTNR1A

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 4 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
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 TAAR1 4418/4885CHRM2 4606/4885CHRM1 4068/4885

“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.