SCHEMBL11904084

SCHEMBL11904084

CC1(C)CC(=O)c2cc(N)ccc2O1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
KDM4E B2RXH2 14/20 0.54
ALDH1A1 P00352 11/20 0.54
GAA P10253 8/20 0.53
HPGD P15428 6/20 0.53
GLA P06280 5/20 0.53
CASP1 P29466 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
ATM Q13315 2/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAD52 P43351 1/20 0.41

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
SCHEMBL29922134 0.87 ALDH1A1 (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL68892 0.81 MAPT (0.69) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL4260350 0.80 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1821389 0.80 MAPT (0.71) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1146916 0.80 MAPT (1.00) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL69403 0.80 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL7957662 0.80 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL2317692 0.80 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6650226 0.78 MAPT (0.64) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6559503 0.78 MAPT (0.63) MAPTKDM4EALDH1A1GAAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369618-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF Nearmedic International Limited (CY) 2020-11-26 US disclosed
EP-3731933-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF Nearmedic International Limited (CY) 2020-11-04 EP disclosed
WO-2012107262-A1 DIHYDROBENZOPYRAN, THIOCHROMAN, TETRAHYDROQUINOLEINE AND TETRAHYDRONAPHTALENE DERIVATIVES AND THEIR USE IN ANTICANCER THERAPY UNIVERSITE DE LIEGE (BE) 2012-08-16 WO disclosed
EP-2487171-A1 Dihydrobenzopyran, thiochroman, tetrahydroquinoleine and tetrahydronaphthalene derivatives and their use in anti-cancer therapy Université de Liège (BE) 2012-08-15 EP 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-20200369618-A1 ASYMMETRIC DERIVATIVES OF POLYPHENOLS OF THE DINAPHTHALINE SERIES, PROCESS OF PREPARING AND USE THEREOF DNM2, DNM1, MAVS MAPT 3116/4885KDM4E 2116/4885ALDH1A1 859/4885

“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.