SCHEMBL17473000

SCHEMBL17473000

CCCCCc1ccc(OC(=O)OCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.63
THRA P10827 3/20 0.60
ALDH1A1 P00352 3/20 0.51
FAAH O00519 1/20 0.49
RARB P10826 5/20 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
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 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
SCHEMBL17472999 0.98 THRB (0.62) THRBTHRAALDH1A1FAAHRARB
SCHEMBL17473155 0.98 THRB (0.62) THRBTHRAALDH1A1FAAHRARB
SCHEMBL6897097 0.98 THRB (0.62) THRBTHRAALDH1A1FAAHRARB
SCHEMBL6899037 0.98 THRB (0.62) THRBTHRAALDH1A1FAAHRARB
SCHEMBL17473101 0.98 THRB (0.62) THRBTHRAALDH1A1FAAHRARB
SCHEMBL6898521 0.95 THRB (0.56) THRBTHRAALDH1A1RARBHSD17B10
SCHEMBL17472986 0.90 THRB (0.63) THRBTHRAALDH1A1FAAHRARB
SCHEMBL237478 0.90 THRB (0.71) THRBTHRAALDH1A1FAAHRARB
SCHEMBL17473055 0.89 THRB (0.62) THRBTHRAALDH1A1FAAHRARB
SCHEMBL17473028 0.89 THRB (0.62) THRBTHRAALDH1A1FAAHRARB

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.