SCHEMBL24050852

SCHEMBL24050852

COc1ccc(C(=O)c2ccc(SC)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
TSHR P16473 1/20 0.73
ALDH1A1 P00352 4/20 0.68
GAA P10253 2/20 0.68
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MAPT P10636 2/20 0.55
ACHE P22303 5/20 0.55
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54

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
SCHEMBL9364577 0.88 CYP1A2 (0.96) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL25688103 0.87 CYP1A2 (0.54) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL7810424 0.86 CYP1A2 (0.53) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1493250 0.86 CYP1A2 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL25688152 0.83 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL9363835 0.81 LMNA (0.68) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL4818731 0.81 ALDH1A1 (1.00) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL1333620 0.81 CYP1A2 (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6872165 0.81 TSHR (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL5074372 0.81 CYP1A2 (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR

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-20230192908-A1 BIOMASS-DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-22 US disclosed
WO-2021236563-A1 BIOMASS-DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2021-11-25 WO 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-20230192908-A1 BIOMASS-DERIVED PHOTOINITIATORS BLVRB, CYP1B1, GLB1 CYP1A2 39/4885CYP2C19 148/4885CYP3A4 30/4885

“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.