SCHEMBL21895495

SCHEMBL21895495

CC(C)(C)c1ccccc1CC(S(C)(C)C)S(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.34
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ATM Q13315 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KIF11 P52732 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
SCHEMBL11435958 0.78 GABRA1 (0.48) ALDH1A1TSHRTDP1CA2BCHE
SCHEMBL25456413 0.73 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CA2BCHE
SCHEMBL9838551 0.72 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2BCHE
SCHEMBL5435016 0.72 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2BCHE
SCHEMBL9720280 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2ATM
SCHEMBL10398717 0.72 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CA2BCHE
SCHEMBL156581 0.70 TSHR (0.50) ALDH1A1TSHRTDP1CA2
SCHEMBL29678719 0.70 TSHR (0.50) ALDH1A1TSHRTDP1CA2
SCHEMBL1315822 0.70 ALDH1A1 (0.35) ALDH1A1TSHRTDP1CA2
SCHEMBL13032299 0.70 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165134-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-25 US disclosed
US-11476430-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-10-18 US disclosed
US-20200119289-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-04-16 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-20230165134-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, TPO ALDH1A1 721/4885TSHR 1568/4885TDP1 2140/4885

“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.