SCHEMBL3853744

SCHEMBL3853744

Cc1ccc(C)c([PH](=O)c2cc(C)ccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2A6 P11509 2/20 0.38
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 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
SCHEMBL31189333 1.00 TDP1 (0.42) TDP1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL30029339 0.83 CYP3A4 (0.36) TDP1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL9355484 0.81 TDP1 (0.39) TDP1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL16398316 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL31327825 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL987477 0.73 HTT (0.41) TDP1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL1188395 0.73 TSHR (0.39) TDP1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL1188527 0.69 TSHR (0.47) TDP1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL562789 0.67 TDP1 (0.44) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL19744496 0.66 TDP1 (0.55) TDP1ALDH1A1CYP1A2HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017115578-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 大電株式会社 2017-07-06 WO disclosed
US-20090280331-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-11-12 US disclosed
US-20090274916-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD (JP) 2009-11-05 US disclosed
EP-2050756-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-04-22 EP disclosed
EP-2048147-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-04-15 EP 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-20090274916-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE P2RX5, P2RX4, KDM5A TDP1 906/4885ALDH1A1 2049/4885CYP1A2 3544/4885
US-20090280331-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE P2RX5, KDM5A, P2RX4 TDP1 1097/4885ALDH1A1 1946/4885CYP1A2 3552/4885

“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.