SCHEMBL16189796

SCHEMBL16189796

CCc1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.76
RAB9A P51151 1/20 0.50
PRTN3 P24158 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10483720 0.86 ELANE (1.00) ELANEPRTN3
SCHEMBL22369614 0.85 ELANE (0.86) ELANEPRTN3
SCHEMBL12737001 0.85 ELANE (0.56) ELANERAB9AALDH1A1
SCHEMBL3657615 0.85 ELANE (0.76) ELANEPRTN3
SCHEMBL3657617 0.85 ELANE (0.76) ELANEPRTN3
SCHEMBL10457684 0.84 ELANE (0.60) ELANE
SCHEMBL9299504 0.83 ELANE (0.73) ELANEPRTN3
SCHEMBL7276499 0.83 ELANE (0.73) ELANEPRTN3
SCHEMBL14870980 0.83 ELANE (0.73) ELANEPRTN3
SCHEMBL10973406 0.83 ELANE (0.73) ELANEPRTN3

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
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
US-9164392-B2 Developer and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-10-20 US disclosed
WO-2015110969-A2 NITROGEN CONTAINING COMPOUNDS AND THEIR USE WOCKHARDT LIMITED (IN) 2015-07-30 WO disclosed
US-20140315131-A1 DEVELOPER AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-23 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-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 ELANE 6/4885RAB9A 2610/4885PRTN3 400/4885

“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.