SCHEMBL17472986

SCHEMBL17472986

CCCCCc1ccc(OC(=O)OCCCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.63
THRA P10827 2/20 0.60
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
FAAH O00519 1/20 0.49
RARB P10826 3/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47

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
SCHEMBL17473115 0.98 THRB (0.62) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473055 0.98 THRB (0.62) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473171 0.98 THRB (0.61) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473028 0.98 THRB (0.62) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473140 0.98 THRB (0.62) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473180 0.98 THRB (0.62) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473062 0.97 THRB (0.61) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17472970 0.97 THRB (0.61) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473141 0.97 THRB (0.61) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL17473156 0.97 THRB (0.61) THRBTHRAALDH1A1LMNACYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
EP-2980066-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2016-02-03 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-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A THRB 4745/4885THRA 4586/4885ALDH1A1 1861/4885

“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.