SCHEMBL983947

SCHEMBL983947

CCCCCCc1ccccc1Oc1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARA Q07869 2/20 0.42
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PPARG P37231 1/20 0.40
BCHE P06276 1/20 0.36
ELANE P08246 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
SCHEMBL983871 0.98 THRA (0.45) THRATHRBLIPGALOX5PTGS2
SCHEMBL983437 0.94 THRA (0.40) THRATHRBLIPGALOX5PTGS2
SCHEMBL981222 0.88 SLC6A2 (0.41) THRATHRB
SCHEMBL984696 0.84 PTGS2 (0.39) THRATHRBLIPGALOX5PTGS2
SCHEMBL941553 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL8444310 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL9505410 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL145217 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL93801 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL8052297 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2

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 THRA 4723/4885THRB 4857/4885LIPG 28/4885

“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.