SCHEMBL17054441

SCHEMBL17054441

CCCCCCn1c2ccc(C(=O)CCCCC)cc2c2c1c1c3cc(C(=O)CCCCC)ccc3n(CCCCCC)c1c1c3cc(C(=O)CCCCC)ccc3n(CCCCCC)c21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.57
▸ CNR1 P21554 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HSD17B3 P37058 5/20 0.48

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
SCHEMBL17054432 0.87 CNR2 (0.59) CNR2CNR1NPC1
Bromide SCHEMBL467079 0.83 CNR2 (0.53) CNR2CNR1NPC1
SCHEMBL22534570 0.82 HSD17B3 (0.54) CNR2NPC1HSD17B3
SCHEMBL8897300 0.82 CNR2 (0.58) CNR2CNR1NPC1
SCHEMBL16477957 0.81 CNR2 (0.48) CNR2CNR1NPC1
SCHEMBL16477958 0.79 CNR2 (0.51) CNR2CNR1NPC1
SCHEMBL29677813 0.78 ALDH1A1 (0.68) CNR2CNR1NPC1
SCHEMBL28018427 0.78 CNR2 (0.64) CNR2CNR1NPC1
SCHEMBL2804157 0.78 ALDH1A1 (0.68) CNR2CNR1NPC1
SCHEMBL8899005 0.76 CNR2 (0.58) CNR2CNR1NPC1

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
EP-2714659-B1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS AMERICAN DYE SOURCE INC (CA) 2017-07-05 — — EP disclosed
US-9382259-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2016-07-05 — — US disclosed
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups AMERICAN DYE SOURCE, INC. (CA) 2016-01-21 — — US disclosed
US-9127017-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2015-09-08 — — 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-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR CNR2 1195/4885CNR1 1823/4885NPC1 2687/4885

“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