SCHEMBL17694317

SCHEMBL17694317

CC#CC(F)(F)C(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)C(C)(F)F)cc5F)s4)c4nsnc34)s2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ ALOX5AP P20292 1/20 0.30

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
SCHEMBL21134115 0.91 ESR1 (0.38) ESR1ESR2ALOX5AP
SCHEMBL20806210 0.85 ESR1 (0.34) ESR1ESR2ALOX5AP
SCHEMBL19120288 0.81 ESR1 (0.32) ESR1ESR2
SCHEMBL16265323 0.76 ESR1 (0.34) ESR1ESR2
SCHEMBL17694361 0.70 ESR1 (0.30) ESR1ESR2
SCHEMBL20806198 0.70 ESR1 (0.37) ESR1ESR2ALOX5AP
SCHEMBL19369162 0.70 ESR2 (0.46) ESR1ESR2
SCHEMBL26500096 0.69 HSD17B1 (0.42) ESR1ESR2
SCHEMBL20806237 0.69 ESR2 (0.45) ESR1ESR2
SCHEMBL25070478 0.67 ESR1 (0.40) ESR1ESR2

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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2016-04-21 — — 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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND CRY1, SLC25A1, CRY2 ESR1 2151/4885ESR2 2050/4885ALOX5AP 4659/4885

“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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