SCHEMBL5204032

SCHEMBL5204032

O=C(O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.58
LDHB P07195 6/20 0.58
HAO1 Q9UJM8 5/20 0.58
AKT1 P31749 1/20 0.48
MCL1 Q07820 2/20 0.47
ACMSD Q8TDX5 2/20 0.47
DHFR P00374 1/20 0.47
HNF4A P41235 1/20 0.47
PTGS2 P35354 1/20 0.47
POLH Q9Y253 1/20 0.46
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
LCK P06239 1/20 0.45
AR P10275 1/20 0.45

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
SCHEMBL330660 0.85 ACMSD (0.66) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL31074035 0.82 LDHA (0.49) LDHALDHBHAO1AKT1PTGS2
SCHEMBL38656046 0.81 LDHA (0.57) LDHALDHBHAO1AKT1MCL1
SCHEMBL5203748 0.79 SRD5A2 (0.62)
SCHEMBL130628 0.78 ALDH1A1 (0.59) MCL1ACMSDDHFRHNF4APTGS2
SCHEMBL3992190 0.77 RXRA (0.65) MCL1ACMSDDHFRHNF4APTGS2
SCHEMBL5209176 0.77 KDM4E (0.56) AR
SCHEMBL5204502 0.77 KDM4E (0.51)
SCHEMBL10786191 0.76 ALDH1A1 (0.58) MCL1ACMSDDHFRHNF4APTGS2
SCHEMBL3744237 0.75 ALDH1A1 (0.64)

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 LDHA 2293/4885LDHB 2140/4885HAO1 1684/4885

“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.