SCHEMBL9625396

SCHEMBL9625396

O=P(Oc1ccc(/N=N/c2ccccc2)cc1)(Oc1ccc(/N=N/c2ccccc2)cc1)Oc1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
TRPA1 O75762 1/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SRC P12931 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL11578901 0.84 CA1 (0.53) TRPA1MAPTMEN1KMT2ARAB9A
SCHEMBL29181663 0.84 SRC (0.67) ALDH1A1TRPA1MAPTMEN1KMT2A
SCHEMBL9625400 0.84 SRC (0.67) ALDH1A1TRPA1MAPTMEN1KMT2A
SCHEMBL20710762 0.83 CA1 (0.48) MAPTMEN1KMT2ARAB9AL3MBTL1
SCHEMBL22321992 0.82 L3MBTL1 (0.68) ALDH1A1TRPA1MAPTMEN1KMT2A
SCHEMBL10015247 0.82 CYP3A4 (0.61) TSHRCYP3A4MEN1KMT2APKM
SCHEMBL10015245 0.82 CYP3A4 (0.61) TSHRCYP3A4MEN1KMT2APKM
SCHEMBL131239 0.82 CYP3A4 (0.61) TSHRCYP3A4MEN1KMT2APKM
SCHEMBL11662151 0.82 TRPA1 (0.39) ALDH1A1TRPA1MAPTMEN1KMT2A
SCHEMBL22321994 0.80 CA2 (0.58) ALDH1A1TRPA1MAPTMEN1KMT2A

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-0180327-B1 ASSAY METHOD INVOLVING A PHASE SEPARATION, AND KIT THEREFOR AMOCO CORPORATION (US) 1990-04-18 EP claimed
US-4804625-A MONITORING BY PHASE SEPARATION FOR BIOLOGICAL SUBSTANCES REACTED WITH AN ENZYME/SUBSTRATE SYSTEM TO FORM A DETECTABLE PRODUCT AMOCO CORPORATION (US) 1989-02-14 US claimed
EP-0180327-A1 Assay method involving a phase separation, and kit therefor AMOCO CORPORATION (US) 1986-05-07 EP claimed
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
EP-0061731-B2 NOVEL PHOSPHORIC ESTER AND A METHOD FOR QUANTITATIVE ANALYSIS OF AN ALKALINE PHOSPHATASE USING THE SAME AS A SUBSTRATE Fuji Photo Film Co., Ltd. (JP) 1992-01-29 EP disclosed
EP-0180327-B1 ASSAY METHOD INVOLVING A PHASE SEPARATION, AND KIT THEREFOR AMOCO CORPORATION (US) 1990-04-18 EP disclosed
US-4804625-A MONITORING BY PHASE SEPARATION FOR BIOLOGICAL SUBSTANCES REACTED WITH AN ENZYME/SUBSTRATE SYSTEM TO FORM A DETECTABLE PRODUCT AMOCO CORPORATION (US) 1989-02-14 US disclosed
EP-0061731-B1 NOVEL PHOSPHORIC ESTER AND A METHOD FOR QUANTITATIVE ANALYSIS OF AN ALKALINE PHOSPHATASE USING THE SAME AS A SUBSTRATE Fuji Photo Film Co., Ltd. (JP) 1986-10-29 EP disclosed
EP-0180327-A1 Assay method involving a phase separation, and kit therefor AMOCO CORPORATION (US) 1986-05-07 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-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES SLC35B2, PPIP5K2, PPA1 ALDH1A1 4078/4885TSHR 733/4885CYP3A4 677/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 ALDH1A1 4078/4885TSHR 733/4885CYP3A4 677/4885

“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.