SCHEMBL12418593

SCHEMBL12418593

CC(=O)Oc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.58
RXRB P28702 4/20 0.58
RXRG P48443 3/20 0.58
RARB P10826 11/20 0.53
RARG P13631 11/20 0.53
PPARG P37231 2/20 0.49
RARA P10276 9/20 0.49
CYP26A1 O43174 3/20 0.49
CYP26B1 Q9NR63 2/20 0.49
CYP3A4 P08684 3/20 0.48
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8839209 0.84 RXRA (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL10646332 0.83 RARB (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL10646335 0.83 RARB (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL13712347 0.81 SMN1; SMN2 (0.45) RXRARXRBRXRGCYP3A4NR1H2
SCHEMBL9446452 0.79 KMT2A (0.72) RARBRARGRARACYP26A1CYP26B1
SCHEMBL8839069 0.79 RXRA (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL8462086 0.79 RARG (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL10729678 0.79 RARG (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL8462084 0.79 RARG (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL9523050 0.79 RXRA (0.50) RXRARXRBRXRGRARBRARG

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-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 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-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA CBR3, CD47, ATL3 RXRA 1135/4885RXRB 1301/4885RXRG 1177/4885

“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.