SCHEMBL24523191

SCHEMBL24523191

Cc1ccc(-c2c(C)cccc2O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPA1 O75762 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
ATM Q13315 1/20 0.41
GRM2 Q14416 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
ELANE P08246 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
CTSG P08311 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL22240495 0.77 ELANE (0.45) PDK2CYP1A2CYP2C19TRPA1TDP1
SCHEMBL7642852 0.77 TDP1 (0.52) PDK2CYP1A2CYP2C19TRPA1TDP1
SCHEMBL17858130 0.76 TRPA1 (0.42) PDK2CYP1A2TRPA1TDP1TP53
SCHEMBL27115949 0.74 PDE9A (0.41) CYP1A2GRM2MEN1KMT2AELANE
SCHEMBL2934180 0.74 ALDH1A1 (0.46) PDK2CYP1A2CYP2C19TRPA1TDP1
SCHEMBL31521298 0.73 TRPA1 (0.62) CYP1A2CYP2C19TRPA1TDP1TP53
SCHEMBL29763174 0.73 TRPA1 (0.62) CYP1A2CYP2C19TRPA1TDP1TP53
SCHEMBL13520606 0.73 GRM2 (0.44) CYP1A2TRPA1TDP1TP53GRM2
SCHEMBL109980 0.73 TRPA1 (0.62) CYP1A2CYP2C19TRPA1TDP1TP53
SCHEMBL1133108 0.73 MAPK14 (0.47) TDP1MEN1KMT2AMAPTALDH1A1

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-20220194956-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-06-23 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-20220194956-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF PIEZO1, LEF1, TMEM109 PDK2 1360/4885CYP1A2 334/4885CYP2C19 213/4885

“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.