SCHEMBL4586559

SCHEMBL4586559

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CETP P11597 3/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
FOLH1 Q04609 1/20 0.43
MAPK1 P28482 1/20 0.40
ELANE P08246 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRC P12931 1/20 0.39
PTPN1 P18031 1/20 0.38
MAOB P27338 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
SCHEMBL13711507 0.85 TSHR (0.57) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL23732772 0.79 TSHR (0.60) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL4586560 0.79 TSHR (0.50) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL18307754 0.79 POLB (0.51) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL10832549 0.78 TSHR (0.58) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL18307755 0.78 TSHR (0.63) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL13596714 0.77 TSHR (0.57) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL11303293 0.75 TSHR (0.55) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL13537701 0.74 TSHR (0.53) TSHRCETPALDH1A1KDM4EFOLH1
SCHEMBL17357035 0.74 TSHR (0.53) TSHRCETPALDH1A1KDM4EFOLH1

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 394/4885CETP 1400/4885ALDH1A1 3296/4885

“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.