SCHEMBL11896604

SCHEMBL11896604

COc1cccc(-c2c(C)cccc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2E1 P05181 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP4B1 P13584 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP3A5 P20815 1/20 0.52
CYP2A7 P20853 1/20 0.52
CYP3A7 P24462 1/20 0.52
CYP2F1 P24903 1/20 0.52
CYP2C18 P33260 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP2J2 P51589 1/20 0.52

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
SCHEMBL1133232 0.88 ACHE (0.55) ACHEDYRK1ACLK4CYP3A4CYP1A1
SCHEMBL11896601 0.85 CYP3A4 (0.59) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL29489425 0.82 CYP3A4 (0.73) ACHEDYRK1ACLK4CYP3A4CYP1A1
SCHEMBL196765 0.82 CYP3A4 (0.73) ACHEDYRK1ACLK4CYP3A4CYP1A1
SCHEMBL321834 0.80 CASR (0.57) ACHEDYRK1ACLK4CYP3A4CYP1A1
Hydrogen Sulfide SCHEMBL28640169 0.80 CYP3A4 (0.70) ACHEDYRK1ACLK4CYP3A4CYP1A1
SCHEMBL29628977 0.80 CYP3A4 (0.77) ACHEDYRK1ACLK4CYP3A4CYP1A1
Ammonia Solution, Strong SCHEMBL27960505 0.80 CYP3A4 (0.70) ACHEDYRK1ACLK4CYP3A4CYP1A1
SCHEMBL10013792 0.79 ALOX5 (0.52) CLK4CYP3A4CYP1A1CYP1A2CYP2D6
SCHEMBL12565770 0.79 HTR7 (0.53) ACHECYP3A4CYP1A2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492274-B1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE AND USE THEREOF UNIV ZHEJIANG (CN) 2016-09-21 EP disclosed
EP-2492274-B1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE AND USE THEREOF UNIV ZHEJIANG (CN) 2016-09-21 EP disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
EP-2492274-A1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE, PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2012-08-29 EP disclosed
EP-2492274-A1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE, PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2012-08-29 EP disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 ACHE 2414/4885DYRK1A 119/4885CLK4 24/4885

“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.