SCHEMBL20560237

SCHEMBL20560237

CCOc1ccc(CCl)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
CTSS P25774 7/20 0.44
S1PR1 P21453 2/20 0.43
CTSK P43235 5/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
AR P10275 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 2/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HTR2A P28223 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL17014923 0.86 RXRA (0.57) RXRARXRBRXRGCTSSS1PR1
SCHEMBL932578 0.85 RXRA (0.40) RXRARXRBRXRGS1PR1IDO1
SCHEMBL11991665 0.84 RXRA (0.40) RXRARXRBRXRGS1PR1IDO1
SCHEMBL13350088 0.83 RXRA (0.58) RXRARXRBRXRGCTSSS1PR1
SCHEMBL19158704 0.83 RXRA (0.55) RXRARXRBRXRGCTSSS1PR1
SCHEMBL16816533 0.83 RXRA (0.55) RXRARXRBRXRGCTSSS1PR1
SCHEMBL2467024 0.83 S1PR1 (0.62) RXRARXRBRXRGS1PR1S1PR5
SCHEMBL2023009 0.83 TTR (0.49) S1PR1ARIDO1HTR2A
SCHEMBL31435397 0.83 TTR (0.49) S1PR1ARIDO1HTR2A
SCHEMBL79415 0.80 RXRA (0.52) RXRARXRBRXRGCTSSS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
CN-108698982-A FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF 日产化学工业株式会社 2018-10-23 CN 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 (2 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 RXRA 1694/4885RXRB 1794/4885RXRG 1645/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 RXRA 1694/4885RXRB 1794/4885RXRG 1645/4885

“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.