SCHEMBL4557644

SCHEMBL4557644

C=CCc1cc(C)c(CO)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
GLA P06280 1/20 0.37
PDXK O00764 2/20 0.35
SHBG P04278 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9348818 0.85 MEN1 (0.41) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL7185587 0.79 MEN1 (0.43) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL10624689 0.79 KMT2A (0.42) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL11792430 0.74 MEN1 (0.39) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL11836721 0.74 MEN1 (0.39) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL11246327 0.74 GABRA1 (0.44) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL9338760 0.73 DHFR (0.42) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL28585139 0.73 SHBG (0.42) MEN1KMT2APTGS1PTGS2GAA
SCHEMBL10949085 0.72 XDH (0.39) MEN1KMT2AALOX5PTGS1GAA
SCHEMBL9332613 0.71 GAA (0.53) MEN1KMT2AALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 US disclosed
US-3998863-A ANTIOXIDANTS AMERICAN CYANAMID COMPANY (US) 1976-12-21 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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS SMCHD1, SMC1A, SI MEN1 735/4885KMT2A 4652/4885ALOX5 2289/4885

“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.