SCHEMBL890018

SCHEMBL890018

C=CC(=O)OC(C)CC/C=C(/C)CCCN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
SQLE Q14534 1/20 0.34
TSHR P16473 2/20 0.33
LSS P48449 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PTPN1 P18031 1/20 0.31
PAOX Q6QHF9 1/20 0.31

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
SCHEMBL890011 0.87 TSHR (0.36) KDM1ASQLETSHRPTPN1
SCHEMBL8362161 0.82 TSHR (0.37) TSHRAPOBEC3AAPOBEC3GPAOX
Hydrochloric Acid SCHEMBL11044475 0.81 TSHR (0.36) TSHR
SCHEMBL889963 0.81 TSHR (0.44) KDM1ASQLETSHRPTPN1
SCHEMBL3975171 0.79 TSHR (0.39) TSHR
SCHEMBL889932 0.76 ALDH1A1 (0.34) TSHRPAOX
SCHEMBL889933 0.75 FAAH (0.36) KDM1ATSHRLSS
SCHEMBL889962 0.75 SQLE (0.39) KDM1ASQLELSSPTPN1PAOX
SCHEMBL890008 0.73 PTPN1 (0.42) KDM1ATSHRPTPN1
SCHEMBL889958 0.70 SQLE (0.47) KDM1ASQLELSSPAOX

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-9193872-B2 Photo-crosslinkable antifouling compositions, films obtained from said compositions, and corresponding uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-11-24 US disclosed
US-20110268689-A1 PHOTO-CROSSLINKABLE ANTIFOULING COMPOSITIONS, FILMS OBTAINED FROM SAID COMPOSITIONS, AND CORRESPONDING USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-11-03 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-20110268689-A1 PHOTO-CROSSLINKABLE ANTIFOULING COMPOSITIONS, FILMS OBTAINED FROM SAID COMPOSITIONS, AND CORRESPONDING USES ALG1, ALG8, PHOSPHO1 KDM1A 3988/4885SQLE 94/4885TSHR 1465/4885

“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.