SCHEMBL5204502

SCHEMBL5204502

O=C(O)c1ccccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
POLB P06746 3/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KIF11 P52732 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C8 P10632 2/20 0.43

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
SCHEMBL980206 0.83 POLB (0.58) KDM4EPOLBLMNAKMT2AGAA
Xenalipin SCHEMBL29881739 0.83 CYP2C8 (0.58) POLBGAAKIF11CYP2C8BACE1
Xenalipin SCHEMBL133087 0.83 CYP2C8 (0.58) POLBGAAKIF11CYP2C8BACE1
Xenalipin SCHEMBL3723586 0.82 CYP2C8 (0.56) POLBGAAKIF11CYP2C8BACE1
SCHEMBL5202561 0.81 TSHR (0.47) KDM4EHSP90AA1KMT2AGAANPC1
SCHEMBL29273187 0.79 KIF11 (0.68) HSP90AA1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL5203748 0.79 SRD5A2 (0.62) KDM4ECYP2C8
SCHEMBL11190049 0.78 MAOB (0.56) KDM4EPOLBKMT2ANPC1RAB9A
SCHEMBL5204032 0.77 LDHA (0.58)
Xenalipin SCHEMBL27618270 0.75 CYP2C8 (0.65) GAAALDH1A1KIF11CYP2C8BACE1

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 KDM4E 2371/4885POLB 4550/4885LMNA 3786/4885

“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.