SCHEMBL982092

SCHEMBL982092

CCCCCc1[c]ccc(CCC)c1CCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.33
CYP19A1 P11511 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL983762 0.98 TYR (0.36) TYRCYP19A1LIPGTP53CYP3A4
SCHEMBL982148 0.98 TYR (0.36) TYRCYP19A1LIPGTP53CYP3A4
SCHEMBL981571 0.97 TYR (0.37) TYRCYP19A1LIPGTP53CYP3A4
SCHEMBL2203754 0.97 TYR (0.37) TYRCYP19A1LIPGTP53CYP3A4
SCHEMBL2201854 0.97 TYR (0.37) TYRCYP19A1LIPGTP53CYP3A4
SCHEMBL815293 0.95 TYR (0.38) TYRLIPGTP53CYP3A4HTT
SCHEMBL816761 0.95 LIPG (0.33) TYRLIPGTP53CYP3A4HTT
SCHEMBL981990 0.95 TYR (0.38) TYRLIPGTP53CYP3A4HTT
SCHEMBL2964797 0.93 LIPG (0.35) TYRLIPGTP53CYP3A4HTT
SCHEMBL814988 0.93 LIPG (0.35) TYRLIPGTP53CYP3A4HTT

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 6 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-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 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
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 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 (2 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 TYR 582/4885CYP19A1 518/4885LIPG 28/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD TYR 138/4885CYP19A1 919/4885LIPG 2599/4885

“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.