SCHEMBL20126953

SCHEMBL20126953

Cc1cc(C(C)(C)C)c2ccsc2c1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
NEK1 Q96PY6 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
SCHEMBL20126955 0.85 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL26017171 0.82 PTGS1 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL18875993 0.78 MAPT (0.33) ALDH1A1KDM4E
SCHEMBL25146224 0.74 CA2 (0.34) CA2PTGS1PTGS2ALOX5ADORA2A
SCHEMBL20146546 0.73 ADORA2A (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL22813264 0.71 ALDH1A1 (0.31) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL203914 0.70 DYRK1A (0.34) ALDH1A1KDM4EADORA2AADORA1
SCHEMBL14282450 0.70 MAPT (0.33) ALDH1A1KDM4E
SCHEMBL26014312 0.68 NEK1 (0.32) CA2PTGS1PTGS2NEK1
SCHEMBL18775167 0.66 MAPT (0.33) ALDH1A1KDM4E

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-20180130956-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-05-10 US disclosed
US-20180130956-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-05-10 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-20180130956-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CYCS, OXA1L, ICOSLG ALDH1A1 3112/4885CA2 2259/4885POLB 1409/4885

“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.