SCHEMBL13486808

SCHEMBL13486808

CCC#Cc1ccc2cc(N(C)C)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.40
TERT O14746 1/20 0.40
PSMB5 P28074 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SNCA P37840 3/20 0.35
MAPT P10636 2/20 0.35
MELK Q14680 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL15112995 0.77 ALDH1A1 (0.48) APPTERTNPC1RAB9ARXFP1
SCHEMBL10454623 0.77 MELK (0.37) MELKGABRPGABRDGABRA1GABRB1
SCHEMBL3206051 0.76 APP (0.44) APPTERTPSMB5NPC1RAB9A
SCHEMBL12980152 0.75 MELK (0.36) MELKGABRPGABRDGABRA1GABRB1
SCHEMBL10453413 0.75 MTNR1A (0.38) MELKGABRPGABRDGABRA1GABRB1
SCHEMBL3490748 0.74 TERT (0.45) APPTERTPSMB5NPC1RAB9A
SCHEMBL12566471 0.74 TERT (0.64) APPTERTPSMB5MAPTEGFR
SCHEMBL10454697 0.74 MELK (0.35) MELKGABRPGABRDGABRA1GABRB1
SCHEMBL8213728 0.74 CYP1A2 (0.47) APPMELK
SCHEMBL3202067 0.73 APP (0.43) APPTERTNPC1RAB9ARXFP1

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-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 APP 3894/4885TERT 3087/4885PSMB5 4133/4885

“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.