SCHEMBL15070047

SCHEMBL15070047

CONC(=O)c1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 17/20 0.68
RARB P10826 17/20 0.68
RARG P13631 16/20 0.68
CYP26A1 O43174 3/20 0.52
CYP26B1 Q9NR63 2/20 0.52
RXRA P19793 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47

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
SCHEMBL18775415 0.96 RARA (0.63) RARARARBRARGCYP26A1CYP26B1
SCHEMBL17327701 0.90 RARA (0.68) RARARARBRARGCYP26A1CYP26B1
SCHEMBL18775432 0.86 RARB (0.73) RARARARBRARGCYP26A1CYP26B1
SCHEMBL12444486 0.86 RARA (0.73) RARARARBRARGCYP26A1CYP26B1
SCHEMBL18775433 0.84 RARA (0.51) RARARARBRARGRXRACYP3A4
SCHEMBL17327714 0.83 RARB (0.62) RARARARBRARGCYP26A1CYP26B1
SCHEMBL17327722 0.82 RARA (0.67) RARARARBRARGCYP26A1CYP26B1
SCHEMBL17327788 0.82 RARA (0.67) RARARARBRARGCYP26A1CYP26B1
SCHEMBL2331952 0.81 RARB (1.00) RARARARBRARGCYP26A1CYP26B1
SCHEMBL10835249 0.81 RARB (0.79) 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-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. 2017-04-27 US disclosed
US-20130165520-A1 Hybrid Molecule Having Mixed Retinoic Acid Receptor Agonism and Histone Deacetylase Inhibitory Properties UNIVERSITY DE MONTREAL (CA) 2013-06-27 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 (2 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-20130165520-A1 Hybrid Molecule Having Mixed Retinoic Acid Receptor Agonism and Histone Deacetylase Inhibitory Properties RARA, RARG, RARB RARA 1/4885RARB 3/4885RARG 2/4885
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS CKMT1A; CKMT1B, MYLK2, CPT1B RARA 1809/4885RARB 1026/4885RARG 845/4885

“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.