SCHEMBL7550309

SCHEMBL7550309

CCC1(CC)CC(CC)(CC)c2cc(C#Cc3ccc(C(=O)O)c(F)c3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
RARB P10826 7/20 0.33
RARA P10276 6/20 0.33
RARG P13631 5/20 0.33
CYP26A1 O43174 1/20 0.33
CYP3A4 P08684 1/20 0.33
CRABP2 P29373 1/20 0.33
AKR1B1 P15121 1/20 0.33
FFAR1 O14842 3/20 0.31
FFAR4 Q5NUL3 3/20 0.31
HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL5737372 0.78 AKR1B1 (0.42) RXRARXRBRXRGRARBRARA
SCHEMBL22426598 0.69 RARB (0.67) RXRARXRBRXRGRARBRARA
SCHEMBL8329088 0.69 MAPT (0.52)
SCHEMBL20636850 0.69 AKR1B1 (0.37) RXRARXRBRXRGRARBRARA
SCHEMBL5737881 0.68 AKR1B1 (0.39) RARBRARARARGCYP26A1CYP3A4
SCHEMBL20556232 0.66 HNF4A (0.62) FFAR1FFAR4HAO1
SCHEMBL9526910 0.66 RARB (0.37) RARBRARARARGCYP26A1CYP3A4
SCHEMBL2837861 0.66 RARB (0.45) RXRARXRBRXRGRARBRARA
SCHEMBL31064115 0.66 HNF4A (0.38) RARBRARARARGFFAR1FFAR4
SCHEMBL6592227 0.65 RARB (0.46) RXRARARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-19 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-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG RXRA 7/4885RXRB 13/4885RXRG 10/4885

“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.