SCHEMBL21294038

SCHEMBL21294038

C=C(C(=O)c1c[nH]cn1)c1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ATM Q13315 1/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
AKR1B10 O60218 1/20 0.33
TRPA1 O75762 1/20 0.33
ABCB11 O95342 1/20 0.33
DHFR P00374 1/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
AKR1B1 P15121 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
SCHEMBL31257137 0.84 TRPA1 (0.32) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL3976340 0.84 TRPA1 (0.32) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL11049910 0.84 ESR1 (0.38) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL31257139 0.84 ESR1 (0.38) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL25990577 0.78 P2RX7 (0.33) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL10550138 0.77 NPC1 (0.33) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL10550141 0.77 NPC1 (0.33) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL11049928 0.74 ALDH1A1 (0.43) CTNNB1WNT3ANPC1RAB9ALMNA
SCHEMBL10736381 0.72 CTNNB1 (0.36) ESR1ESR2CTNNB1WNT3ANPC1
SCHEMBL10547082 0.72 ALDH1A1 (0.30) ALDH1A1

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-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS SLAYBACK PHARMA LLC 2019-08-29 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-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS OPRD1, OPRM1, DRD2 ESR1 3987/4885ESR2 4697/4885CTNNB1 3592/4885

“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.