SCHEMBL2507345

SCHEMBL2507345

CCC(C)C(C[PH](=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL22009966 0.77 HKDC1 (0.52) LMNAHKDC1MEN1KMT2ATAAR1
SCHEMBL2510168 0.77 LMNA (0.45) LMNAHKDC1MEN1KMT2AHSD17B10
SCHEMBL13909501 0.76 TRPA1 (0.52) LMNAHKDC1MEN1KMT2ATAAR1
SCHEMBL27580075 0.74 MEN1 (0.44) LMNAHKDC1MEN1KMT2AHSD17B10
SCHEMBL27373573 0.73 HTR2A (0.42) LMNATAAR1HTR2AHRH1CYP2D6
SCHEMBL15736894 0.73 TAAR1 (0.42) LMNAHKDC1MEN1KMT2ATAAR1
SCHEMBL3122344 0.72 TAAR1 (0.45) LMNAHKDC1MEN1KMT2ATAAR1
SCHEMBL12803686 0.72 TAAR1 (0.45) LMNAHKDC1MEN1KMT2ATAAR1
SCHEMBL2644179 0.72 TAAR1 (0.45) LMNAHKDC1MEN1KMT2ATAAR1
SCHEMBL11679334 0.72 TAAR1 (0.67) LMNAHKDC1TAAR1TRPA1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245386-A1 Method for the Production of Mixed-Substituted Dialkylphosphinic Acids, Esters, and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-06 — — 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 (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-20110245386-A1 Method for the Production of Mixed-Substituted Dialkylphosphinic Acids, Esters, and Salts, and Use Thereof HAO2, ACSL3, SCO2 LMNA 3658/4885HKDC1 3944/4885MEN1 2950/4885

“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.

Send feedback