SCHEMBL26566969

SCHEMBL26566969

CC(C)(C)c1cc(C2CCCCC2)c2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1B1 Q16678 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIF11 P52732 3/20 0.34
PSMB5 P28074 1/20 0.33
CHRM1 P11229 1/20 0.33
TP53 P04637 1/20 0.33
PTGS2 P35354 1/20 0.33
BCHE P06276 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL22431672 0.84 DRD2 (0.33) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL25795852 0.79 CYP2A6 (0.48) ALDH1A1CYP1A2HSD17B10CYP1B1DRD2
SCHEMBL25388439 0.78 CAMKK2 (0.36) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL22222352 0.78 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
Ammonia Solution, Strong SCHEMBL27937789 0.78 CYP2A6 (0.47) ALDH1A1CYP1A2HSD17B10CYP1B1DRD2
SCHEMBL10898473 0.76 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL21085211 0.76 TDP1 (0.40) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL27937786 0.75 PDE5A (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL20362900 0.75 PSMB5 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL26195938 0.74 PSMB5 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10

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-20230337523-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 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-20230337523-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OCIAD1, OCIAD2 ALDH1A1 545/4885CYP1A2 1850/4885CYP2D6 3207/4885

“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.