SCHEMBL7587462

SCHEMBL7587462

CC1(C)CCC(C)(C)c2cc(CC/C=C/C3=C(C(=O)O)C3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.52
RARB P10826 5/20 0.52
RARG P13631 5/20 0.52
CYP26A1 O43174 6/20 0.51
CYP26B1 Q9NR63 5/20 0.51
RXRA P19793 9/20 0.50
RXRB P28702 7/20 0.50
RXRG P48443 5/20 0.50
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 1/20 0.40
BLVRB P30043 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G4A P47712 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8341287 0.85 RARA (0.45) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8337872 0.85 RARA (0.45) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8336498 0.81 RXRA (0.47) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8529268 0.80 RXRA (0.58) RARARARBRARGCYP26A1CYP26B1
SCHEMBL18786579 0.77 RXRA (0.52) RARARARBRARGCYP26A1CYP26B1
SCHEMBL29605538 0.75 CYP26B1 (0.83) RARARARBRARGCYP26A1CYP26B1
SCHEMBL21776768 0.75 CYP26B1 (0.83) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8795908 0.73 CYP26B1 (0.51) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9586582 0.72 CYP26B1 (0.70) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9208986 0.72 RXRA (0.78) RARARARBRARGCYP26A1CYP26B1

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-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. 2002-06-27 US disclosed
WO-1999008992-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1999-02-25 WO 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-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity RXRA, RXRB, CBR1 RARA 6/4885RARB 13/4885RARG 30/4885

“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.