SCHEMBL5645573

SCHEMBL5645573

O=C(O)c1ccc(OCCCCF)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.54
RARB P10826 1/20 0.54
MAOB P27338 3/20 0.47
MCL1 Q07820 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAOA P21397 1/20 0.45
PTPN11 Q06124 1/20 0.44

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
Hydrochloric Acid SCHEMBL18861015 0.86 MCL1 (0.48) RARARARBMCL1PTPN11
SCHEMBL4946606 0.86 RARA (0.53) RARARARBMAOBMCL1MRGPRX4
SCHEMBL7825340 0.86 RARB (0.71) RARARARBMAOBMCL1PTPN11
SCHEMBL3083648 0.86 RARA (0.56) RARARARBMAOBMCL1MRGPRX4
SCHEMBL7824715 0.85 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL1583118 0.85 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL7821266 0.85 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL7814595 0.85 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL9626748 0.85 RARB (0.66) RARARARBMCL1PTPN11
Hydrochloric Acid SCHEMBL9626908 0.84 RARB (0.64) RARARARBMCL1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR RARA 670/4885RARB 701/4885MAOB 58/4885

“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.