SCHEMBL5433283

SCHEMBL5433283

Oc1ccc2cc(-c3cnc4ccccc4c3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.65
PIK3CD O00329 2/20 0.58
PIK3CA P42336 2/20 0.58
ESR1 P03372 5/20 0.58
PDGFRB P09619 3/20 0.56
PDGFRA P16234 3/20 0.56
HSD17B1 P14061 3/20 0.56
BIRC5 O15392 1/20 0.55
FTO Q9C0B1 1/20 0.54
CYP1A2 P05177 2/20 0.53
HSD17B2 P37059 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 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
SCHEMBL3003119 0.88 ESR2 (0.71) ESR2PIK3CDPIK3CAESR1PDGFRB
SCHEMBL3014425 0.85 BIRC5 (0.66) ESR2PIK3CDPIK3CAESR1PDGFRB
SCHEMBL7554865 0.85 ESR2 (0.67) ESR2PIK3CDPIK3CAESR1PDGFRB
SCHEMBL32667946 0.82 PDGFRB (0.77) PIK3CDPIK3CAPDGFRBPDGFRABIRC5
SCHEMBL2772360 0.82 PDGFRB (0.77) PIK3CDPIK3CAPDGFRBPDGFRABIRC5
SCHEMBL19467303 0.81 BIRC5 (0.66) ESR2PIK3CDPIK3CAESR1PDGFRB
SCHEMBL17829338 0.80 PDGFRB (0.60) ESR2PIK3CDPIK3CAPDGFRBPDGFRA
SCHEMBL26548412 0.80 PDGFRB (0.60) ESR2PIK3CDPIK3CAPDGFRBPDGFRA
SCHEMBL26550765 0.80 PDGFRB (0.60) ESR2PIK3CDPIK3CAPDGFRBPDGFRA
SCHEMBL26550770 0.80 PDGFRB (0.60) ESR2PIK3CDPIK3CAPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP disclosed
US-20070212569-A1 ORGANOMETALLIC COMPLEX FOR ORGANIC LIGHT-EMITTING LAYER AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME SFC CO., LTD. (KR) 2007-09-13 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM ESR2 3195/4885PIK3CD 4815/4885PIK3CA 4825/4885

“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.