SCHEMBL10046728

SCHEMBL10046728

O=C(O)c1ccc(-c2ccc(CO)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.82
RARG P13631 13/20 0.82
RARA P10276 11/20 0.65
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
THRB P10828 1/20 0.59
RECQL P46063 1/20 0.59
NR2E1 Q9Y466 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NR1I2 O75469 1/20 0.53

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
SCHEMBL6535556 0.90 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL30012262 0.90 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL8083653 0.81 RARG (0.88) RARBRARGRARAMEN1KMT2A
SCHEMBL6535711 0.80 RARG (0.83) RARBRARGRARAMEN1KMT2A
SCHEMBL7926644 0.80 MEN1 (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL27938212 0.79 RARG (0.81) RARBRARGRARAMEN1KMT2A
SCHEMBL8766222 0.79 RARB (0.76) RARBRARGRARAMEN1KMT2A
SCHEMBL8766191 0.79 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL10046723 0.78 RARB (0.56) RARBRARGRARAMEN1KMT2A
SCHEMBL7920630 0.78 RARG (0.79) RARBRARGRARAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101793-B2 Anticarcinogenic and antimetastasis agents; leukemia or Hodgkin's disease. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-01-24 US disclosed
EP-1412317-B1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES SIGMA TAU IND FARMACEUTI (IT) 2010-12-22 EP disclosed
US-7449495-B2 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-11-11 US disclosed
US-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-24 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-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities RARA, RARB, RXRA RARB 2/4885RARG 4/4885RARA 1/4885

“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.