SCHEMBL5209176

SCHEMBL5209176

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
DHODH Q02127 1/20 0.54
KEAP1 Q14145 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
KMO O15229 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
SRD5A2 P31213 2/20 0.46
RXRG P48443 1/20 0.45
SLC9A1 P19634 1/20 0.45
NQO2 P16083 1/20 0.45
CES2 O00748 1/20 0.45
AR P10275 1/20 0.45
NR4A1 P22736 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
SCHEMBL5203748 0.85 SRD5A2 (0.62) KDM4ETDP1DHODHKEAP1RXRA
SCHEMBL177453 0.85 DHODH (0.71) DHODHMRGPRX4KMOAKR1C3AKR1C2
SCHEMBL29917363 0.85 DHODH (0.71) DHODHMRGPRX4KMOAKR1C3AKR1C2
SCHEMBL12171821 0.82 RAB9A (0.51) KDM4EALDH1A1DHODHMRGPRX4
SCHEMBL5201678 0.81 ALDH1A1 (0.50) KDM4EALDH1A1DHODH
SCHEMBL5209780 0.81 HPGD (0.62) KDM4EALDH1A1POLB
SCHEMBL5207083 0.81 NPC1 (0.59) KDM4EALDH1A1POLBTDP1DHODH
SCHEMBL5206575 0.80 ALDH1A1 (0.52) KDM4EALDH1A1DHODHKEAP1
SCHEMBL29273187 0.79 KIF11 (0.68) ALDH1A1NQO2
SCHEMBL2225187 0.78 POLB (0.57) KDM4EALDH1A1POLBTDP1L3MBTL1

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 2371/4885ALDH1A1 700/4885POLB 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.