SCHEMBL981189

SCHEMBL981189

CCCCCC(CCCCC)CCc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
S1PR2 O95136 5/20 0.36
LMNA P02545 2/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2C P28335 1/20 0.36
HSPE1 P61604 1/20 0.36

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
SCHEMBL815043 0.94 BDKRB2 (0.35) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL981992 0.93 ESR1 (0.40) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL28295281 0.91 BDKRB2 (0.33) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL7691731 0.91 ESR1 (0.43) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL27321576 0.89 ESR1 (0.42) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL815294 0.89 ESR1 (0.40) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL25171051 0.87 ALDH1A1 (0.39) S1PR1S1PR2LMNAHSD17B10KDM4E
SCHEMBL816762 0.85 SIGMAR1 (0.37) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL815877 0.83 SIGMAR1 (0.35) S1PR1S1PR2LMNAESR1ADRA2A
SCHEMBL981522 0.83 CSNK1E (0.39) LMNABDKRB2

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 S1PR1 4732/4885S1PR2 4560/4885LMNA 2379/4885

“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.