SCHEMBL19677873

SCHEMBL19677873

CC(C)(C)c1cc(-c2ccc(CC3CC3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 9/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ ATM Q13315 2/20 0.39

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
SCHEMBL15946083 0.83 ALDH1A1 (0.53) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL19677872 0.83 ALDH1A1 (0.53) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL13140169 0.78 ALDH1A1 (0.48) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL11076761 0.77 ALDH1A1 (0.50) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL19677869 0.77 ALDH1A1 (0.50) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL10024160 0.77 CA2 (0.61) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL21417624 0.76 ALDH1A1 (0.47) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL17123614 0.76 CYP2C9 (0.50) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL17123613 0.76 CA2 (0.59) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL10024157 0.76 CA1 (0.42) CA2CA1ALDH1A1KDM4EGAA

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-10858591-B2 Stabilizer and liquid crystal composition comprising same SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2020-12-08 — — US disclosed
US-20170349833-A1 STABILIZER AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-12-07 — — US disclosed
US-20170349833-A1 STABILIZER AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-12-07 — — 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-10858591-B2 Stabilizer and liquid crystal composition comprising same BCL2L2, NCAPD2, ZYX CA2 1022/4885CA1 538/4885CYP1A2 2799/4885
US-20170349833-A1 STABILIZER AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME LBR, CTNND1, CRYZ CA2 2130/4885CA1 707/4885CYP1A2 3877/4885

“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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