SCHEMBL6360463

SCHEMBL6360463

CCOc1ccccc1B(c1ccccc1OCC)c1ccccc1OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 5/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GLA P06280 1/20 0.47
LIPE Q05469 1/20 0.46
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CACNA2D1 P54289 1/20 0.42
GAA P10253 1/20 0.42
HCRTR1 O43613 1/20 0.42
MAPK10 P53779 1/20 0.41
ALOX15 P16050 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
SCHEMBL22704 0.84 LIPE (0.63) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL29825302 0.84 LIPE (0.63) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL578986 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL29428929 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL28365322 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL3411409 0.77 LIPE (0.46) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL28608089 0.76 L3MBTL1 (0.61) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL8912901 0.73 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL10998289 0.73 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL198911 0.73 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTNPSR1GLA

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-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 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-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides CAT, LPO, GPX4 ALDH1A1 184/4885L3MBTL1 2512/4885MAPT 1550/4885

“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.