SCHEMBL22322009

SCHEMBL22322009

CC1CCC(OP(=O)(O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
KCNA5 P22460 1/20 0.40
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CFTR P13569 1/20 0.36
ACHE P22303 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL22322008 0.83 ALDH1A1 (0.44) ALDH1A1LMNAKCNA5SMN1; SMN2MEN1
SCHEMBL5420537 0.83 NPSR1 (0.44) LMNACA2CA4CA5ASMN1; SMN2
SCHEMBL20710821 0.76 MEN1 (0.44) ALDH1A1LMNAKCNA5CA2CA4
SCHEMBL28143700 0.74 ALDH1A1 (0.74) ALDH1A1LMNAKCNA5CA2SMN1; SMN2
SCHEMBL22171418 0.73 SRC (0.40) ALDH1A1LMNAKCNA5SMN1; SMN2TSHR
SCHEMBL4451868 0.72 L3MBTL1 (0.48) ALDH1A1LMNACA2CA4CA5A
SCHEMBL25019698 0.72 INPP5A (0.52) ACHE
SCHEMBL9484912 0.72 INPP5A (0.38) ACHE
SCHEMBL28016278 0.68 KDM4E (0.40) CA2CA4CA5ASMN1; SMN2KDM4E
SCHEMBL344018 0.68 CA2 (0.54) ALDH1A1LMNACA2CA4CA5A

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 4078/4885LMNA 4753/4885KCNA5 2041/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 ALDH1A1 4078/4885LMNA 4753/4885KCNA5 2041/4885

“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.