SCHEMBL982195

SCHEMBL982195

Cc1cc[c]c(C(C)(C)c2ccccc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
KCNN4 O15554 2/20 0.33
MAPK1 P28482 1/20 0.33
NR3C2 P08235 3/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL980318 0.80 ESR1 (0.34) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL984077 0.79 ESR1 (0.39) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL983976 0.77 ALDH1A1 (0.33) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL983284 0.76 ALDH1A1 (0.32) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL348335 0.76 TRPA1 (0.31)
SCHEMBL288010 0.73 ALDH1A1 (0.37) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL1630426 0.73 ESR1 (0.37) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL288482 0.72 ALDH1A1 (0.39) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL27948286 0.71 ESR1 (0.44) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL9787333 0.70 ESR1 (0.52) ESR1ESR2ALDH1A1CYP3A4MAPK1

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
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ESR1 3842/4885ESR2 3685/4885ALDH1A1 2204/4885

“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.