SCHEMBL16401825

SCHEMBL16401825

O=C(Cl)c1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDH1 P12830 1/20 0.63
▸ CTNNB1 P35222 1/20 0.63
▸ TCF7L2 Q9NQB0 1/20 0.63
▸ NPC1 O15118 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TP53 P04637 3/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ NOTUM Q6P988 1/20 0.56
▸ THRB P10828 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL892967 0.86 CDH1 (0.82) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL11275129 0.84 CDH1 (0.61) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL892678 0.84 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL15437038 0.80 TP53 (0.59) CDH1CTNNB1TCF7L2SMN1; SMN2TP53
SCHEMBL24198778 0.80 SMN1; SMN2 (0.59) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL18257901 0.78 CDH1 (0.70) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL20149361 0.78 CDH1 (1.00) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL9057987 0.77 TP53 (0.65) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL1686347 0.77 POLB (0.66) CDH1CTNNB1TCF7L2SMN1; SMN2TP53
SCHEMBL19000598 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53MAPK1

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-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-04-28 — — US disclosed
EP-3003317-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS University Of Rochester (US) 2016-04-13 — — EP disclosed
WO-2014197591-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS UNIVERSITY OF ROCHESTER (US) 2014-12-11 — — 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-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS CYP3A43, POR, CYP3A4 CDH1 4484/4885CTNNB1 3915/4885TCF7L2 2508/4885

“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.

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