SCHEMBL5209780

SCHEMBL5209780

CCOC(=O)c1cccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2C9 P11712 1/20 0.52
HSP90AA1 P07900 1/20 0.48
PTGES O14684 2/20 0.47
SYK P43405 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5203063 0.87 MAPT (0.63) HPGDTP53POLBMAPTNPC1
SCHEMBL5209176 0.81 KDM4E (0.56) POLBKDM4EALDH1A1
SCHEMBL1994068 0.79 CES2 (0.61) HPGDPOLBMAPTALDH1A1MEN1
SCHEMBL30786693 0.79 CES2 (0.61) HPGDPOLBMAPTALDH1A1MEN1
SCHEMBL5202561 0.79 TSHR (0.47) HPGDTP53MAPTNPC1RAB9A
SCHEMBL1199282 0.77 HPGD (0.54) HPGDTP53POLBMAPTNPC1
SCHEMBL3903326 0.77 ALDH1A1 (0.59) HPGDPOLBMAPTNPC1RAB9A
SCHEMBL3055510 0.77 HPGD (0.66) HPGDTP53POLBMAPTNPC1
SCHEMBL2294507 0.76 MAPT (0.57) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL1199443 0.76 PTGES (0.49) HPGDTP53POLBMAPTNPC1

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 HPGD 2112/4885TP53 2540/4885POLB 4550/4885

“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.