SCHEMBL21146822

SCHEMBL21146822

CC(C)c1ccc(Oc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL346292 0.87 ALDH1A1 (0.61) SLC2A1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL10349728 0.85 SLC2A1 (0.74) SLC2A1ALDH1A1ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL2861214 0.84 ALDH1A1 (0.58) SLC2A1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL4366979 0.84 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL15849015 0.84 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL13018335 0.84 ALDH1A1 (0.65) SLC2A1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13018337 0.84 ALDH1A1 (0.65) SLC2A1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL3946527 0.84 ALDH1A1 (0.65) SLC2A1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL15472295 0.82 NPBWR1 (0.53) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL26378354 0.82 PTGS1 (0.47) SLC2A1ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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 (2 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT SLC2A1 667/4885ALDH1A1 1121/4885ALOX15 1061/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SLC2A1 580/4885ALDH1A1 1382/4885ALOX15 1444/4885

“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.