SCHEMBL9947244

SCHEMBL9947244

CCc1cc(OC)ccc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.50
APLNR P35414 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
DRD2 P14416 2/20 0.40
CYP1A2 P05177 2/20 0.40
PGR P06401 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL5216491 0.87 OR51E2 (0.51) OR51E2APLNRALDH1A1TSHRADRB2
SCHEMBL14608957 0.80 ALDH1A1 (0.45) APLNRALDH1A1HTTTSHRLMNA
SCHEMBL5597294 0.79 GAA (0.53) OR51E2ALDH1A1HTTKMT2ACYP1A2
SCHEMBL2203559 0.79 ALDH1A1 (0.56) OR51E2APLNRALDH1A1HTTLMNA
SCHEMBL31432473 0.77 TRIM24 (0.56) OR51E2ALDH1A1TSHRLMNAKMT2A
SCHEMBL5223370 0.77 ERN1 (0.56) OR51E2ALDH1A1HTTLMNACYP1A2
SCHEMBL2095308 0.77 OR51E2 (0.48) OR51E2ALDH1A1HTTKMT2ACYP1A2
SCHEMBL20726018 0.77 CYP1A2 (0.40) ALDH1A1HTTLMNAKMT2ANPSR1
SCHEMBL11322262 0.75 KMT2A (0.48) OR51E2ALDH1A1TSHRLMNAKMT2A
SCHEMBL1911389 0.75 OR51E2 (0.46) OR51E2ALDH1A1HTTKMT2ANPSR1

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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 OR51E2 4269/4885APLNR 3878/4885ALDH1A1 2633/4885

“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.