SCHEMBL14826475

SCHEMBL14826475

CC1CCc2c(ccc3c2CCC(C)N3)N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
BRD4 O60885 3/20 0.34
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
AR P10275 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 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
SCHEMBL11162775 0.82 NOTUM (0.50) AR
SCHEMBL9598979 0.82 AR (0.31) AR
SCHEMBL11750110 0.81 MEN1 (0.33) ALDH1A1HSD17B10
SCHEMBL11743396 0.81 POLB (0.35) HSD17B10
SCHEMBL9654110 0.81 AR (0.31) AR
SCHEMBL22279675 0.80 CREBBP (0.41) ALDH1A1GFERBRD4CREBBPEP300
Hydrochloric Acid SCHEMBL10596804 0.80 AR (0.30) AR
SCHEMBL11088069 0.80 POLB (0.40) ALDH1A1ARTP53CYP1A2HPGD
SCHEMBL31170704 0.80 HTR2C (0.40) AR
SCHEMBL11169777 0.80 HTR1D (0.40) ALDH1A1GFERAR

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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 ALDH1A1 3082/4885GFER 4478/4885BRD4 3472/4885

“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.