SCHEMBL10151402

SCHEMBL10151402

C=CCCCOCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 1/20 0.50
HRH3 Q9Y5N1 5/20 0.49
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL18935995 0.93 MEN1 (0.42) MEN1KMT2AIDO1HRH3FAAH
SCHEMBL106849 0.84 SIGMAR1 (0.48) IDO1HTR2ASIGMAR1
SCHEMBL196951 0.84 IDO1 (0.67) MEN1KMT2AIDO1HRH3LMNA
SCHEMBL11917760 0.84 MEN1 (0.49) MEN1KMT2AIDO1HRH3LMNA
SCHEMBL3438756 0.83 IDO1 (0.52) MEN1KMT2AIDO1HRH3LMNA
SCHEMBL3269931 0.83 TSHR (0.52) IDO1HRH3
SCHEMBL648362 0.82 MAOA (0.52) SIGMAR1
Ammonia Solution, Strong SCHEMBL10647609 0.82 SIGMAR1 (0.46) IDO1HTR2ASIGMAR1
SCHEMBL3438749 0.81 MEN1 (0.50) MEN1KMT2AIDO1HRH3LMNA
SCHEMBL8880401 0.81 ALDH1A1 (0.43) MEN1KMT2AIDO1HTR2A

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-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-05-10 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-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C MEN1 4796/4885KMT2A 2253/4885IDO1 1940/4885

“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.