SCHEMBL5206575

SCHEMBL5206575

O=C(O)c1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
P2RY14 Q15391 4/20 0.49
DHODH Q02127 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TSPO P30536 2/20 0.47
CYP2C9 P11712 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 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
SCHEMBL5201678 0.96 ALDH1A1 (0.50) ALDH1A1P2RY14DHODHNPC1RAB9A
SCHEMBL8183194 0.87 ABCB1 (0.55) P2RY14ABCB1ABCC1NPC1RAB9A
SCHEMBL5202132 0.87 ABCB1 (0.55) P2RY14ABCB1ABCC1NPC1RAB9A
SCHEMBL12871786 0.86 HSD17B1 (0.52) ALDH1A1HSD17B1HSD17B2ABCB1ABCC1
SCHEMBL26096270 0.85 ALDH1A1 (0.62) ALDH1A1ABCB1ABCC1NPC1RAB9A
SCHEMBL31011143 0.85 ALDH1A1 (0.62) ALDH1A1ABCB1ABCC1NPC1RAB9A
SCHEMBL1505293 0.83 NPC1 (0.67) HSD17B1HSD17B2ABCB1ABCC1NPC1
SCHEMBL12171608 0.83 NPC1 (0.67) DHODHHSD17B1HSD17B2ABCB1ABCC1
SCHEMBL5206252 0.82 NPC1 (0.66) ALDH1A1HSD17B1HSD17B2ABCB1ABCC1
SCHEMBL5205489 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAOBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG ALDH1A1 700/4885P2RY14 4511/4885DHODH 1853/4885

“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.