SCHEMBL24701902

SCHEMBL24701902

Cc1cccc2c1C(C)(C)OC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
CD44 P16070 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDK2 Q15119 1/20 0.31
TRPA1 O75762 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL8121303 0.75 PDK2 (0.36) PDK2
SCHEMBL12365068 0.68 ALDH1A1 (0.34) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL12533314 0.68 ALDH1A1 (0.34) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL18474031 0.64 AVPR1A (0.37) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL8606549 0.64 ALDH1A1 (0.34) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL12718616 0.64 PSMB1 (0.40) CYP1A2CD44CA1CA2CA7
SCHEMBL24701901 0.64 CYP2A6 (0.35) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL24701663 0.64 CYP1A2 (0.35) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL11910663 0.64 DRD1 (0.50) CYP1A2CYP2A6CD44ALDH1A1CA1
SCHEMBL23449322 0.62 CD44 (0.33) CYP1A2CYP2A6CD44ALDH1A1CA1

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-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 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-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 CYP1A2 1171/4885CYP2A6 3670/4885CD44 2443/4885

“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.