SCHEMBL25688103

SCHEMBL25688103

COc1cc(C(=O)c2ccc(SC)cc2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
TSHR P16473 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46
TUBA1B P68363 4/20 0.46
TUBA4A P68366 4/20 0.46
TUBB4B P68371 4/20 0.46
TUBB3 Q13509 4/20 0.46
TUBB2A Q13885 4/20 0.46
TUBB8 Q3ZCM7 4/20 0.46
TUBA3E Q6PEY2 4/20 0.46
TUBA1A Q71U36 4/20 0.46

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
SCHEMBL24050852 0.87 CYP1A2 (0.73) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL15100716 0.83 CYP1A2 (0.61) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11313816 0.82 ALDH1A1 (0.75) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL257510 0.82 CYP1A2 (0.64) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL2601961 0.82 CYP1A2 (0.81) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL15100715 0.81 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6654012 0.81 SLC22A6 (0.59) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL25688152 0.81 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL25616696 0.80 MAPT (0.40) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL7810424 0.80 CYP1A2 (0.53) 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 1 patent. 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

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.