SCHEMBL19851617

SCHEMBL19851617

CC(C)(C)Cc1ccc(CC(C)(C)Cc2c[nH]cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
BRS3 P32247 1/20 0.30
KCNH2 Q12809 1/20 0.30
ESR2 Q92731 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
SCHEMBL22916695 0.88 ESR1 (0.33) ESR1
SCHEMBL73986 0.82 ESR1 (0.32) ESR1
SCHEMBL23962330 0.81 SLC6A2 (0.38)
SCHEMBL502576 0.77 BRS3 (0.31) BRS3
SCHEMBL13233297 0.75 ESR1 (0.41) ESR1THRATHRBBRS3KCNH2
SCHEMBL19401021 0.74
SCHEMBL20671961 0.71 ESRRG (0.47) THRATHRB
SCHEMBL18714374 0.71 L3MBTL1 (0.45) ESR1
SCHEMBL7176145 0.71 SLC6A2 (0.34)
SCHEMBL23734534 0.70 ESR1 (0.86) ESR1THRATHRBESR2

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-20180036217-A1 MOUSSE-TYPE COSMETIC COMPOSITION CONTAINING SCORIA AMOREPACIFIC CORPORATION (KR) 2018-02-08 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-20180036217-A1 MOUSSE-TYPE COSMETIC COMPOSITION CONTAINING SCORIA CUTA, MC1R, MSN ESR1 4108/4885THRA 3764/4885THRB 4743/4885

“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.