SCHEMBL4843324

SCHEMBL4843324

O=[N+]([O-])c1ccc(Oc2ccc(C34CC5CC(C3)CC(c3ccc(Oc6ccc([N+](=O)[O-])c(O)c6)cc3)(C5)C4)cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PGR P06401 3/20 0.46
ESR1 P03372 1/20 0.44
GPR35 Q9HC97 1/20 0.38
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL15471105 0.87 GPR35 (0.38) RAB9ANPC1PGRESR1GPR35
SCHEMBL15466178 0.87 GPR35 (0.38) RAB9ANPC1PGRESR1GPR35
SCHEMBL15466208 0.85 NPC1 (0.35) RAB9ANPC1PGRESR1GPR35
SCHEMBL4845107 0.82 GPR35 (0.39) RAB9ANPC1GPR35MEN1KMT2A
SCHEMBL15467799 0.81 GPR35 (0.38) RAB9ANPC1GPR35MEN1KMT2A
SCHEMBL15471097 0.81 GPR35 (0.38) RAB9ANPC1GPR35MEN1KMT2A
SCHEMBL15466436 0.79 PGR (0.37) RAB9ANPC1PGRGPR35POLB
SCHEMBL15466437 0.79 PGR (0.37) RAB9ANPC1PGRGPR35POLB
SCHEMBL15466438 0.79 PGR (0.37) RAB9ANPC1PGRGPR35POLB
SCHEMBL4847049 0.79 GPR35 (0.58) ESR1GPR35MEN1KMT2APOLB

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-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US disclosed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 RAB9A 3978/4885NPC1 536/4885PGR 2516/4885

“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.