SCHEMBL18307299

SCHEMBL18307299

CC(C)C(CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.42
TRPV3 Q8NET8 8/20 0.40
TRPA1 O75762 4/20 0.40
KIF11 P52732 1/20 0.40
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.34
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33
CACNA1D Q01668 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7417618 1.00 KCNN4 (0.42) KCNN4TRPV3TRPA1KIF11CYP2D6
SCHEMBL7417614 1.00 KCNN4 (0.42) KCNN4TRPV3TRPA1KIF11CYP2D6
SCHEMBL10053574 0.81 KCNN4 (0.50) KCNN4TRPA1KIF11CYP2D6ALDH1A1
SCHEMBL1776001 0.78 RCE1 (0.39) KCNN4TRPV3TRPA1CYP2D6CYP2C19
SCHEMBL3852207 0.77 KCNN4 (0.47) KCNN4TRPA1KIF11
SCHEMBL6565005 0.77 KCNN4 (0.47) KCNN4TRPA1KIF11
SCHEMBL3854524 0.77 KCNN4 (0.47) KCNN4TRPA1KIF11
SCHEMBL3853261 0.76 KCNN4 (0.50) KCNN4TRPA1KIF11CYP2D6ALDH1A1
SCHEMBL3666885 0.76 KCNN4 (0.50) KCNN4TRPA1KIF11CYP2D6ALDH1A1
SCHEMBL4484584 0.76 KCNN4 (0.50) KCNN4TRPA1KIF11CYP2D6ALDH1A1

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-20160362445-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2016-12-15 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-20160362445-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT HDGF, VIP, HDGFL3 KCNN4 4849/4885TRPV3 4674/4885TRPA1 4751/4885

“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.