SCHEMBL983437

SCHEMBL983437

CCCCc1ccccc1Oc1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PPARA Q07869 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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 0.95 THRA (0.45) THRATHRBALOX5PTGS2HRH1
SCHEMBL983947 0.94 THRA (0.47) THRATHRBALOX5PTGS2LIPG
SCHEMBL981222 0.90 SLC6A2 (0.41) THRATHRBHRH1TAAR1
SCHEMBL984696 0.90 PTGS2 (0.39) THRATHRBALOX5PTGS2LIPG
SCHEMBL979986 0.83 L3MBTL1 (0.43)
SCHEMBL36193 0.81 THRA (0.49) THRATHRBALOX5PTGS2HRH1
SCHEMBL981200 0.80 LTB4R (0.39) ALOX5PTGS2PPARATAAR1
SCHEMBL10471231 0.77 SLC6A4 (0.33) HRH1PPARA
SCHEMBL2860914 0.76 ALOX5 (0.50) THRATHRBALOX5PTGS2LIPG
SCHEMBL983988 0.76 L3MBTL1 (0.37) TAAR1

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 7 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
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 US disclosed
EP-0206251-B1 HALOACETAMIDE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1988-09-07 EP disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 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 4857/4885ALOX5 1229/4885

“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.