SCHEMBL983798

SCHEMBL983798

CCCCCC(CCCCC)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
SLC2A1 P11166 2/20 0.34
OPRM1 P35372 1/20 0.33
BDKRB2 P30411 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CSNK1E P49674 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL982650 0.98 NR1I2 (0.46) NR1I2SLC2A1OPRM1LMNAALDH1A1
SCHEMBL10358926 0.98 NR1I2 (0.42) NR1I2SLC2A1OPRM1BDKRB2ESR1
SCHEMBL10357844 0.98 NR1I2 (0.46) NR1I2SLC2A1OPRM1LMNAALDH1A1
SCHEMBL10358358 0.96 NR1I2 (0.45) NR1I2SLC2A1BDKRB2LMNAALDH1A1
SCHEMBL8859009 0.96 NR1I2 (0.41) NR1I2SLC2A1OPRM1BDKRB2ESR1
SCHEMBL6850756 0.94 NR1I2 (0.44) NR1I2SLC2A1OPRM1ESR1ESR2
SCHEMBL5480284 0.94 NR1I2 (0.44) NR1I2SLC2A1OPRM1ESR1ESR2
SCHEMBL817130 0.94 NR1I2 (0.38) NR1I2SLC2A1BDKRB2ESR1ESR2
SCHEMBL28140502 0.90 NR1I2 (0.55) NR1I2SLC2A1OPRM1ESR1ESR2
SCHEMBL6162603 0.90 NR1I2 (0.55) NR1I2SLC2A1OPRM1ESR1ESR2

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 5 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
CN-102026965-B Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2014-02-26 CN 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 NR1I2 4608/4885SLC2A1 3368/4885OPRM1 4847/4885

“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.