SCHEMBL1913992

SCHEMBL1913992

CC/C(=C\C(=O)O)c1cnc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.52
RARA P10276 7/20 0.51
IKBKB O14920 3/20 0.51
RARG P13631 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN11 Q06124 2/20 0.46
NR0B2 Q15466 1/20 0.46
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL1914337 0.92 RARB (0.47) RARBRARAIKBKBRARGMEN1
SCHEMBL14974800 0.90 RARA (0.52) RARBRARAIKBKBRARGMEN1
SCHEMBL1914085 0.86 IKBKB (0.51) RARBRARAIKBKBRARGMEN1
SCHEMBL1914098 0.84 RARB (0.53) RARBRARAIKBKBRARGMEN1
SCHEMBL1914439 0.84 XDH (0.43) RARBRARAIKBKBRARGMEN1
SCHEMBL1914172 0.84 RARB (0.50) RARBRARAIKBKBRARGMEN1
SCHEMBL1914166 0.83 IKBKB (0.42) RARBRARAIKBKBRARGMEN1
SCHEMBL14974372 0.82 RARB (0.51) RARBRARAIKBKBRARGMEN1
SCHEMBL1914227 0.82 IKBKB (0.51) RARBRARAIKBKBRARGMEN1
SCHEMBL14973916 0.82 RARB (0.73) RARBRARAIKBKBRARGMEN1

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-9096544-B2 Therapeutic compounds WAYNE STATE UNIVERSITY (US) 2015-08-04 US disclosed
US-20130137699-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-30 US disclosed
WO-2011079305-A1 THERAPEUTIC COMPOUNDS WAYNE STATE UNIVERSITY (US) 2011-06-30 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-20130137699-A1 THERAPEUTIC COMPOUNDS BAX, MCL1, TMBIM6 RARB 3599/4885RARA 3485/4885IKBKB 479/4885

“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.