SCHEMBL3348281

SCHEMBL3348281

CNCCCNCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KISS1R Q969F8 1/20 0.36
EPHX1 P07099 1/20 0.36
PAOX Q6QHF9 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
CA2 P00918 1/20 0.34
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
ANPEP P15144 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30

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
SCHEMBL25557251 0.92 EPHX1 (0.46) HRH4HRH3KISS1REPHX1PAOX
SCHEMBL24508702 0.92 EPHX1 (0.46) HRH4HRH3KISS1REPHX1PAOX
SCHEMBL25832099 0.92 EPHX1 (0.46) HRH4HRH3KISS1REPHX1PAOX
SCHEMBL2478778 0.89 HRH4 (0.42) HRH4HRH3EPHX1ADH1BADH1C
SCHEMBL10045260 0.86 CYP2C19 (0.45) HRH4HRH3EPHX1ADH1BADH1C
SCHEMBL21107061 0.84 HTR1B (0.34) HRH4HRH3KISS1REPHX1PAOX
SCHEMBL3318903 0.83
SCHEMBL9624660 0.83 HRH4 (0.47) HRH4HRH3EPHX1ADH1BADH1C
SCHEMBL22813889 0.81 ADH1B (0.36) HRH4HRH3ADH1BADH1CADH1A
SCHEMBL23731285 0.81 ADH1B (0.36) HRH4HRH3ADH1BADH1CADH1A

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD HRH4 1550/4885HRH3 1893/4885KISS1R 3048/4885

“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.