SCHEMBL13077786

SCHEMBL13077786

C=C1OC(C)(C)C(=O)C(c2nc(-c3ccc(Cl)cc3)ncc2C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL607395 0.85 NPC1 (0.39) NPC1RAB9ARXFP1ALDH1A1MAP4K4
SCHEMBL16487523 0.75 ADORA3 (0.36) NPC1RAB9AALDH1A1DGAT1KDM4E
SCHEMBL1160646 0.74 NPC1 (0.42) NPC1RAB9ARXFP1ALDH1A1MAP4K4
SCHEMBL10238098 0.71 NPC1 (0.39) NPC1RAB9ARXFP1ALDH1A1MAP4K4
SCHEMBL13058552 0.70 NPC1 (0.39) NPC1RAB9ARXFP1ALDH1A1MAP4K4
SCHEMBL11963696 0.67 NPC1 (0.32) NPC1RAB9ARXFP1
SCHEMBL13078144 0.65 PTGS1 (0.31) —
SCHEMBL2763495 0.64 NPC1 (0.45) NPC1RAB9ARXFP1ALDH1A1MAP4K4
SCHEMBL9287104 0.64 PDE1A (0.34) NPC1RAB9ARXFP1ALDH1A1
SCHEMBL13078091 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 NPC1 4588/4885RAB9A 4207/4885RXFP1 2179/4885

“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.

Send feedback