SCHEMBL26036280

SCHEMBL26036280

CCc1ccc2c(ccc3c(F)c(CC)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ELANE P08246 2/20 0.36
KIF11 P52732 1/20 0.34
DAO P14920 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TYMS P04818 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL26036283 0.79 CYP1A2 (0.37) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL7657320 0.78 CYP1A2 (0.50) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL30688302 0.77 CYP1A2 (0.50) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL29101380 0.77 CYP1A2 (0.50) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL26036288 0.77 CYP1A2 (0.42) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL8653130 0.77 CYP1A2 (0.48) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL11466569 0.76 HPGD (0.39) CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1
SCHEMBL4123235 0.75 CYP1A2 (0.47) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL18800290 0.75 CYP1A2 (0.47) CYP1A2CYP2A6AKR1C3AKR1C2ELANE
SCHEMBL3949360 0.75 CYP1A2 (0.47) CYP1A2CYP2A6AKR1C3AKR1C2ELANE

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-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound DIC CORPORATION (JP) 2023-08-29 US disclosed
US-20230131540-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND COMPOUND DIC CORPORATION (JP) 2023-04-27 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-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound OCIAD2, PKN2, SKP1 CYP1A2 2601/4885CYP2A6 1463/4885AKR1C3 1698/4885

“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.