SCHEMBL7596993

SCHEMBL7596993

CCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.49
CYP19A1 P11511 9/20 0.49
ESR2 Q92731 6/20 0.46
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL7596988 1.00 ESR1 (0.49) ESR1CYP19A1ESR2MAOBMAOA
SCHEMBL7701237 0.83 ESR1 (0.49) ESR1CYP19A1ESR2
SCHEMBL7701234 0.83 ESR1 (0.49) ESR1CYP19A1ESR2
SCHEMBL23586398 0.80 ESR1 (0.49) ESR1CYP19A1ESR2CNR2
SCHEMBL7598076 0.76 ESR1 (0.43) ESR1CYP19A1ESR2NPC1RAB9A
SCHEMBL7600262 0.76 ESR1 (0.61) ESR1CYP19A1ESR2NPC1RAB9A
SCHEMBL7600265 0.76 ESR1 (0.61) ESR1CYP19A1ESR2NPC1RAB9A
SCHEMBL7598079 0.76 ESR1 (0.43) ESR1CYP19A1ESR2NPC1RAB9A
SCHEMBL11787805 0.75 ESR1 (0.52) ESR1CYP19A1ESR2
SCHEMBL7598606 0.75 ESR1 (0.60) ESR1CYP19A1ESR2NPC1RAB9A

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-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG ESR1 6/4885CYP19A1 13/4885ESR2 2/4885

“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.