SCHEMBL22322014

SCHEMBL22322014

C=CCP(=O)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 2/20 0.46
HPGD P15428 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 1/20 0.40
CYP2A6 P11509 1/20 0.39
LMNA P02545 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
APLNR P35414 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
SCHEMBL11322892 0.93 ALDH1A1 (0.46) ALDH1A1TSHRTP53CYP3A4ALOX15
SCHEMBL20710723 0.89 SMN1; SMN2 (0.42) ALDH1A1TSHRTP53CYP3A4ALOX15
SCHEMBL777593 0.85 CYP3A4 (0.53) ALDH1A1TSHRCYP3A4HPGDHTT
SCHEMBL777615 0.82 SMN1; SMN2 (0.53) ALDH1A1TSHRTP53CYP3A4ALOX15
SCHEMBL22322015 0.82 PKM (0.47) ALDH1A1TSHRTP53CYP3A4ALOX15
SCHEMBL780821 0.81 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4
SCHEMBL11365424 0.81 PTPN1 (0.38) SMN1; SMN2PKMLMNA
SCHEMBL780979 0.81 SRC (0.47) SMN1; SMN2HTT
SCHEMBL778383 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTP53CYP3A4ALOX15
SCHEMBL11325381 0.80 MEN1 (0.44) ALDH1A1ALOX15SMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 733/4885TP53 2357/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 ALDH1A1 4078/4885TSHR 733/4885TP53 2357/4885

“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.