SCHEMBL4586560

SCHEMBL4586560

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CTSA P10619 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CETP P11597 3/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
FOLH1 Q04609 1/20 0.41
MAPK1 P28482 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL17357035 0.82 TSHR (0.53) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL27969393 0.82 TSHR (0.53) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL1034487 0.81 TSHR (0.52) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL11538617 0.79 TSHR (0.70) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL4586530 0.79 TSHR (0.50) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL4586559 0.79 TSHR (0.53) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4586535 0.77 TSHR (0.47) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL7336647 0.77 TSHR (0.51) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL27497415 0.76 TSHR (0.50) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL9816599 0.76 TSHR (0.46) TSHRALDH1A1L3MBTL1POLBMEN1

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 394/4885CTSA 1711/4885ACHE 3802/4885

“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.