SCHEMBL4586530

SCHEMBL4586530

CC(C)OP(=O)(Cl)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.43
CETP P11597 3/20 0.43
KDM4E B2RXH2 2/20 0.42
FOLH1 Q04609 1/20 0.41
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LAP3 P28838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2415748 0.84 TSHR (0.55) TSHRALDH1A1CETPKDM4EFOLH1
SCHEMBL85540 0.83 TSHR (0.63) TSHRALDH1A1CETPFOLH1
SCHEMBL27969393 0.82 TSHR (0.53) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL17357035 0.82 TSHR (0.53) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1034487 0.81 TSHR (0.52) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4586535 0.80 TSHR (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4586560 0.79 TSHR (0.50) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11538617 0.79 TSHR (0.70) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11288205 0.79 TSHR (0.53) TSHRALDH1A1POLBCETPFOLH1
SCHEMBL5269070 0.78 TSHR (0.57) TSHRALDH1A1CETPFOLH1

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
EP-1385988-A4 SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS SEMOREX INC (US) 2008-04-09 EP disclosed
US-20040121405-A1 Selective covalent-binding compounds having therapeutic diagnostic and analytical applications SEMOREX INC. 2004-06-24 US disclosed
EP-1385988-A2 SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS Semorex Inc. (US) 2004-02-04 EP disclosed
WO-2002083708-A2 SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS SEMOREX INC. (US) 2002-10-24 WO 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-20040121405-A1 Selective covalent-binding compounds having therapeutic diagnostic and analytical applications CD2BP2, HAVCR2, EPCAM TSHR 394/4885MEN1 3655/4885KMT2A 2183/4885

“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.