SCHEMBL21788093

SCHEMBL21788093

Cc1cc(C(C)C)c2cc(F)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.38
CYP1A2 P05177 4/20 0.38
KIF11 P52732 1/20 0.35
ACHE P22303 2/20 0.33
LMNA P02545 2/20 0.33
TYMS P04818 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
DHODH Q02127 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
RECQL P46063 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL26233298 0.85 CYP1A2 (0.38) CYP2A6CYP1A2KIF11ACHELMNA
SCHEMBL20315031 0.80 CYP1A2 (0.36) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL14525500 0.76 NFE2L2 (0.39) CYP2A6CYP1A2KIF11ACHELMNA
SCHEMBL25763688 0.76 CYP1A2 (0.48) CYP2A6CYP1A2ACHELMNASLC6A2
SCHEMBL6366989 0.75 CYP1A2 (0.57) CYP2A6CYP1A2LMNATDP1TRPA1
SCHEMBL24897763 0.73 CA3 (0.40) CYP2A6CYP1A2KIF11ACHETYMS
SCHEMBL19983447 0.71 GAA (0.48) CYP1A2LMNATYMSDHODHKDM4E
SCHEMBL21788088 0.70 SMN1; SMN2 (0.41) CYP2A6CYP1A2KIF11ACHELMNA
SCHEMBL7666203 0.70 CYP1A2 (0.52) CYP2A6CYP1A2KIF11ACHELMNA
SCHEMBL21872045 0.69 CYP1A2 (0.40) CYP2A6CYP1A2KIF11LMNATYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-25 US disclosed
US-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-25 US disclosed
US-11753425-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-12 US disclosed
US-11753425-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-12 US disclosed
US-20200075870-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-03-05 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 (3 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-20240025934-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, RO60, LIFR CYP2A6 3466/4885CYP1A2 3956/4885KIF11 2992/4885
US-20200075870-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP CYP2A6 1209/4885CYP1A2 207/4885KIF11 3585/4885
US-11753425-B2 Organic electroluminescent materials and devices SSB, RO60, LIFR CYP2A6 3466/4885CYP1A2 3956/4885KIF11 2992/4885

“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.