SCHEMBL981222

SCHEMBL981222

CCCc1ccccc1Oc1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 3/20 0.41
AR P10275 1/20 0.39
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
HTR1A P08908 2/20 0.38
HRH1 P35367 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
PPARD Q03181 1/20 0.35
RIPK1 Q13546 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL983437 0.90 THRA (0.40) HRH1TAAR1THRATHRB
SCHEMBL981200 0.89 LTB4R (0.39) SLC6A2SLC6A4SLC6A3ARADRA2A
SCHEMBL983871 0.89 THRA (0.45) HRH1THRATHRB
SCHEMBL983947 0.88 THRA (0.47) THRATHRB
SCHEMBL979986 0.86 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3ARADRA2A
SCHEMBL984696 0.80 PTGS2 (0.39) LTB4RLTB4R2THRATHRB
SCHEMBL8563171 0.80 PPARG (0.33) SLC6A2SLC6A4SLC6A3ARPPARD
SCHEMBL2202797 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ARADRA2A
SCHEMBL10471231 0.79 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3HRH1RIPK1
SCHEMBL983988 0.79 L3MBTL1 (0.37) SLC6A2SLC6A4SLC6A3HTR1ANISCH

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 SLC6A2 4820/4885SLC6A4 4786/4885SLC6A3 4840/4885

“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.