SCHEMBL14974372

SCHEMBL14974372

CCC(=Cc1cnc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.51
RARA P10276 7/20 0.50
IKBKB O14920 3/20 0.50
RARG P13631 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC11 Q96DB2 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 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
SCHEMBL2393233 0.85 RARB (0.55) RARBRARAIKBKBRARGMEN1
SCHEMBL14974756 0.85 IKBKB (0.48) RARBRARAIKBKBRARGMEN1
SCHEMBL2390175 0.84 RARB (0.54) RARBRARAIKBKBRARGMEN1
SCHEMBL2390151 0.84 RARB (0.51) RARBRARAIKBKBRARGMEN1
SCHEMBL14974248 0.83 HDAC11 (0.43) RARBRARAIKBKBRARGMEN1
SCHEMBL2391808 0.83 PTPN11 (0.54) RARBRARAIKBKBRARGMEN1
SCHEMBL1913992 0.82 RARB (0.52) RARBRARAIKBKBRARGMEN1
SCHEMBL2391578 0.82 PTPN11 (0.53) RARBRARAIKBKBRARGMEN1
SCHEMBL2391094 0.81 PTPN11 (0.68) RARBRARARARGMEN1KMT2A
SCHEMBL2395883 0.81 PTPN11 (0.52) 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 2 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

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.