SCHEMBL5227219

SCHEMBL5227219

C=CCC(C(C)=O)C(=O)OO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4773694 0.83 ALDH1A1 (0.37) TSHRUSP2LMNACYP3A4MAPT
SCHEMBL1973010 0.82 GRIK1 (0.40) TSHRUSP2LMNACYP3A4MAPT
SCHEMBL7483838 0.82 TSHR (0.31) TSHR
SCHEMBL3607061 0.82 ALDH1A1 (0.39) TSHRLMNASMN1; SMN2
SCHEMBL4766772 0.82 TSHR (0.42) TSHRCYP3A4MAPT
SCHEMBL30979219 0.80 GRIK1 (0.39) TSHRUSP2LMNACYP3A4MAPT
SCHEMBL30979220 0.80 GRIK1 (0.39) TSHRUSP2LMNACYP3A4MAPT
Acetic Acid SCHEMBL28822001 0.79 MMP8 (0.37) TSHRLMNASMN1; SMN2
SCHEMBL8183510 0.79 SMN1; SMN2 (0.32) TSHRCYP3A4MAPTSMN1; SMN2
SCHEMBL31585 0.78 GRIK1 (0.42) LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191606-A1 2,2-Bis(4-hydroxyphenyl)-alkyl onium salt and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-08-16 US claimed
EP-1818336-A1 2,2-bis-(4-hydroxyphenyl)-alkyl onium salt and a process for the preparation thereof Council of Scientific and Industrial Research (IN) 2007-08-15 EP claimed
US-20070191606-A1 2,2-Bis(4-hydroxyphenyl)-alkyl onium salt and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-08-16 US disclosed
EP-1818336-A1 2,2-bis-(4-hydroxyphenyl)-alkyl onium salt and a process for the preparation thereof Council of Scientific and Industrial Research (IN) 2007-08-15 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-20070191606-A1 2,2-Bis(4-hydroxyphenyl)-alkyl onium salt and process for the preparation thereof HACL2, HAO2, HPD TSHR 4769/4885USP2 775/4885LMNA 2170/4885

“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.