SCHEMBL6159030

SCHEMBL6159030

CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.71
CYP2C19 P33261 6/20 0.71
CYP2D6 P10635 3/20 0.71
ALOX15 P16050 3/20 0.71
TP53 P04637 3/20 0.71
SMN1; SMN2 Q16637 5/20 0.59
HIF1A Q16665 4/20 0.59
HSPA5 P11021 2/20 0.57
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
AMY1A P0DUB6 1/20 0.38
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 4/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9860200 0.99 CYP2C9 (0.73) CYP2C9CYP2C19CYP2D6ALOX15TP53
Butylated Hydroxytoluene SCHEMBL2537031 0.90 CYP2C9 (0.83) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL15738035 0.88 CYP2C9 (0.79) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL3363437 0.85 CYP2C9 (0.58) CYP2C9CYP2C19CYP2D6ALOX15TP53
Butylated Hydroxytoluene SCHEMBL11418147 0.84 CYP2C9 (0.54) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL39107 0.84 CYP2C9 (1.00) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL29375990 0.84 CYP2C9 (1.00) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL29381967 0.84 CYP2C9 (1.00) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL7193799 0.83 HSPA5 (0.57) CYP2C9CYP2C19CYP2D6ALOX15TP53
SCHEMBL31406588 0.83 CYP2C9 (0.97) CYP2C9CYP2C19CYP2D6ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050131244-A1 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-06-16 US disclosed
EP-1175467-A1 STABILIZED ADHESIVE COMPOSITIONS CONTAINING HIGHLY SOLUBLE, RED-SHIFTED, PHOTOSTABLE BENZOTRIAZOLE UV ABSORBERS AND LAMINATED ARTICLES DERIVED THEREFROM Ciba SC Holding AG (CH) 2002-01-30 EP disclosed
WO-2000066676-A1 STABILIZED ADHESIVE COMPOSITIONS CONTAINING HIGHLY SOLUBLE, RED-SHIFTED, PHOTOSTABLE BENZOTRIAZOLE UV ABSORBERS AND LAMINATED ARTICLES DERIVED THEREFROM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-11-09 WO disclosed
EP-0729946-B1 Condensates of butyne-linked hindered amines CIBA SC HOLDING AG (CH) 1999-12-15 EP disclosed
US-5703149-A Process for the preparation of stabilized olefin polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-12-30 US disclosed
US-5387687-A Stabilize synthetic polymers against action of light, heat, oxidation CIBA-GEIGY CORPORATION (US) 1995-02-07 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 (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-20050131244-A1 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES GNPAT, DCTPP1, DERA CYP2C9 253/4885CYP2C19 413/4885CYP2D6 199/4885

“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.