SCHEMBL982148

SCHEMBL982148

CCCCCCCc1[c]ccc(CCC)c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
LIPG Q9Y5X9 4/20 0.34
ESR1 P03372 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR2C P28335 1/20 0.33
HSPE1 P61604 1/20 0.33

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 1.00 TYR (0.36) TYRLIPGESR1TP53CYP3A4
SCHEMBL2203754 0.98 TYR (0.37) TYRLIPGESR1TP53CYP3A4
SCHEMBL981571 0.98 TYR (0.37) TYRLIPGESR1TP53CYP3A4
SCHEMBL2201854 0.98 TYR (0.37) TYRLIPGESR1TP53CYP3A4
SCHEMBL982092 0.98 TYR (0.33) TYRLIPGESR1TP53CYP3A4
SCHEMBL815591 0.95 TYR (0.40) TYRLIPGESR1TP53CYP3A4
SCHEMBL2964797 0.95 LIPG (0.35) TYRLIPGESR1TP53CYP3A4
SCHEMBL814988 0.95 LIPG (0.35) TYRLIPGESR1TP53CYP3A4
SCHEMBL2966494 0.95 LIPG (0.35) TYRLIPGESR1TP53CYP3A4
SCHEMBL2972345 0.95 TYR (0.40) TYRLIPGESR1TP53CYP3A4

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 TYR 582/4885LIPG 28/4885ESR1 3842/4885

“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.