SCHEMBL983988

SCHEMBL983988

CCc1cccc(Oc2[c]cccc2)c1CC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
MGLL Q99685 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL979986 0.88 L3MBTL1 (0.43) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL981200 0.81 LTB4R (0.39) HPGDSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL984696 0.79 PTGS2 (0.39)
SCHEMBL981222 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR1ATAAR1
SCHEMBL10916615 0.78 GABRA1 (0.46) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL10965997 0.76 KDM4E (0.35) L3MBTL1MAPTKDM4E
SCHEMBL983437 0.76 THRA (0.40) TAAR1
SCHEMBL983871 0.75 THRA (0.45)
SCHEMBL10471231 0.75 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL2865548 0.75 GABRA1 (0.45) L3MBTL1MAPTNPSR1GABRA1GABRB2

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 L3MBTL1 3460/4885MAPT 2985/4885NPSR1 4473/4885

“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.