SCHEMBL19638085

SCHEMBL19638085

O=P(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP1A2 P05177 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
MAPT P10636 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 1/20 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
SCHEMBL756459 0.86 CA2 (0.52) PTPN1CES2CES1CYP1A2NPC1
Hydrochloric Acid SCHEMBL28698564 0.84 CA2 (0.50) PTPN1CES2CES1CYP1A2NPC1
SCHEMBL13002721 0.82 CMA1 (0.44) PTPN1CES2CES1LMNATSHR
SCHEMBL3833758 0.81 GPR84 (0.45) PTPN1CES2CES1CYP1A2LMNA
SCHEMBL939524 0.80 CA2 (0.50) PTPN1CES2CES1CYP1A2GPR84
SCHEMBL14339274 0.79 GPR84 (0.44) PTPN1CES2CES1CYP1A2LMNA
SCHEMBL14339290 0.79 GPR84 (0.44) PTPN1CES2CES1CYP1A2LMNA
SCHEMBL14339272 0.77 GPR84 (0.42) PTPN1CES2CES1CYP1A2LMNA
SCHEMBL10040027 0.77 CA1 (0.45) PTPN1CES2CES1CYP1A2NPC1
SCHEMBL4209745 0.77 CYP2A6 (0.44) PTPN1CES2CES1CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10930872-B2 Light-emitting electrochemical cell, composition for forming light-emitting layer of light-emitting electrochemical cell, and ionic compound for light-emitting layer of light-emitting electrochemical cell NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-23 US disclosed
US-10550241-B2 Polytrimethylene terephthalate composition, polyester fiber, and methods for producing the same TEIJIN FRONTIER CO., LTD. (JP) 2020-02-04 US disclosed
CN-108293284-B Electrochemical light-emitting cell, composition for forming light-emitting layer of electrochemical light-emitting cell, and ionic compound for light-emitting layer of electrochemical light-emitting cell NIPPON CHEMICAL INDUSTRIAL CO.,LTD. (JP) 2019-12-10 CN disclosed
EP-3249012-B1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME TEIJIN FRONTIER CO LTD (JP) 2019-08-21 EP disclosed
US-20180301653-A1 LIGHT-EMITTING ELECTROCHEMICAL CELL, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER OF LIGHT-EMITTING ELECTROCHEMICAL CELL, AND IONIC COMPOUND FOR LIGHT-EMITTING LAYER OF LIGHT-EMITTING ELECTROCHEMICAL CELL NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2018-10-18 US disclosed
EP-3386274-A1 ELECTROCHEMICAL LIGHT EMITTING CELL, COMPOSITION FOR FORMING LIGHT EMITTING LAYER OF ELECTROCHEMICAL LIGHT EMITTING CELL, AND IONIC COMPOUND FOR LIGHT EMITTING LAYER OF ELECTROCHEMICAL LIGHT EMITTING CELL Nippon Chemical Industrial Co., Ltd. (JP) 2018-10-10 EP disclosed
US-20180265667-A1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBER, AND METHODS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2018-09-20 US disclosed
CN-108293284-A The luminescent layer ionic compound of electrochemical luminescence unit, the luminescent layer formation composition of electrochemical luminescence unit and electrochemical luminescence unit 日本化学工业株式会社 2018-07-17 CN disclosed
EP-3249012-A1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME Teijin Limited (JP) 2017-11-29 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 (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-10930872-B2 Light-emitting electrochemical cell, composition for forming light-emitting layer of light-emitting electrochemical cell, and ionic compound for light-emitting layer of light-emitting electrochemical cell CRY2, CRY1, L1CAM PTPN1 2527/4885CES2 601/4885CES1 2057/4885

“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.