SCHEMBL20126955

SCHEMBL20126955

Cc1cc(C(C)(C)C)c2sccc2c1C

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
SCHEMBL20126953 0.85 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL22813264 0.82 ALDH1A1 (0.31) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL14282450 0.78 MAPT (0.33) ALDH1A1KDM4E
SCHEMBL20146546 0.77 ADORA2A (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL26017171 0.75 PTGS1 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL25146224 0.74 CA2 (0.34) CA2PTGS1PTGS2ALOX5ADORA2A
SCHEMBL22607119 0.70 TSHR (0.45) ALDH1A1KDM4ENEK1
SCHEMBL203914 0.70 DYRK1A (0.34) ALDH1A1KDM4EADORA2AADORA1
SCHEMBL18875993 0.70 MAPT (0.33) ALDH1A1KDM4E
SCHEMBL26014312 0.68 NEK1 (0.32) CA2PTGS1PTGS2NEK1

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.