SCHEMBL19697331

SCHEMBL19697331

CCCCCCOc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1O)C(C)(C)CCC2(C)C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.65
APP P05067 6/20 0.46
AKR1C3 P42330 1/20 0.46
PPARG P37231 1/20 0.44
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP26A1 O43174 1/20 0.43
ACHE P22303 2/20 0.43
CYP26B1 Q9NR63 1/20 0.43
HNF4A P41235 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL19119381 0.99 RXRA (0.66) RXRAAPPAKR1C3PPARGNR1H3
SCHEMBL26053263 0.87 RXRA (0.52) RXRAAPPAKR1C3KDM4EACHE
SCHEMBL6473191 0.87 RXRA (0.51) RXRAAKR1C3PPARGNR1H3KDM4E
SCHEMBL6473193 0.87 RXRA (0.51) RXRAAKR1C3PPARGNR1H3KDM4E
SCHEMBL6874360 0.86 RXRA (0.63) RXRAAKR1C3KDM4ECYP26A1ACHE
SCHEMBL6473263 0.85 RXRA (0.67) RXRAAPPKDM4ECYP26A1CYP26B1
SCHEMBL6473269 0.85 RXRA (0.67) RXRAAPPKDM4ECYP26A1CYP26B1
SCHEMBL6878227 0.85 RXRA (0.50) RXRAAKR1C3PPARGNR1H3KDM4E
SCHEMBL6472658 0.84 RXRA (0.66) RXRAAPPAKR1C3KDM4ECYP26A1
SCHEMBL6472662 0.84 RXRA (0.66) RXRAAPPAKR1C3KDM4ECYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354623-A1 RECEPTOR SUBTYPE AND FUNCTION SELECTIVE RETINOID AND REXINOID COMPOUNDS IN COMBINATION WITH IMMUNE MODULATORS FOR CANCER IMMUNOTHERAPY Io Therapeutics, Inc. 2017-12-14 US disclosed
US-20170354623-A1 RECEPTOR SUBTYPE AND FUNCTION SELECTIVE RETINOID AND REXINOID COMPOUNDS IN COMBINATION WITH IMMUNE MODULATORS FOR CANCER IMMUNOTHERAPY Io Therapeutics, Inc. 2017-12-14 US 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-20170354623-A1 RECEPTOR SUBTYPE AND FUNCTION SELECTIVE RETINOID AND REXINOID COMPOUNDS IN COMBINATION WITH IMMUNE MODULATORS FOR CANCER IMMUNOTHERAPY RXRA, RXRG, RXRB RXRA 1/4885APP 4857/4885AKR1C3 1785/4885

“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.