SCHEMBL14295236

SCHEMBL14295236

CC(C)c1cccc2c1sc1ccc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PRNP P04156 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35

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
SCHEMBL23775995 0.84 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19PRNP
SCHEMBL23776181 0.83 CYP1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1
SCHEMBL19257819 0.80 CYP1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1
SCHEMBL13789873 0.79 HPRT1 (0.48) ALDH1A1CYP1A2PRNPHSD17B10TSHR
SCHEMBL31747788 0.78 HSD17B10 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19PRNP
SCHEMBL14295770 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2PRNPHSD17B10TSHR
SCHEMBL1102404 0.78 GPR3 (0.48) ALDH1A1CYP1A2TSHRHPGDCYP3A4
SCHEMBL23776184 0.77 LMNA (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1
SCHEMBL30612521 0.77 HPRT1 (0.46) ALDH1A1CYP1A2PRNPHSD17B10TSHR
SCHEMBL2150778 0.77 HPRT1 (0.46) ALDH1A1CYP1A2PRNPHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-08-19 — — US disclosed
US-20210062081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-03-04 — — US disclosed
US-20120319091-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-12-20 — — US disclosed
US-20120319091-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-12-20 — — 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 (2 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-20120319091-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME INMT, TYR, ALKBH2 ALDH1A1 890/4885CYP1A2 564/4885CYP2C9 1173/4885
US-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, RIF1 ALDH1A1 123/4885CYP1A2 1081/4885CYP2C9 2224/4885

“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.

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