SCHEMBL889963

SCHEMBL889963

C=CC(=O)OCCC/C(C)=C\CCC(C)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
KDM1A O60341 1/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 1/20 0.35
ALOX15 P16050 1/20 0.33
THRB P10828 2/20 0.33
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SQLE Q14534 2/20 0.30

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
SCHEMBL890008 0.91 PTPN1 (0.42) TSHRHPGDALDH1A1CYP3A4KDM1A
SCHEMBL890011 0.88 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4KDM1A
SCHEMBL8565036 0.81 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL890018 0.81 KDM1A (0.35) TSHRKDM1APTPN1SQLE
SCHEMBL889927 0.81 LSS (0.35) TSHRHPGDALDH1A1CYP3A4
SCHEMBL6731836 0.79 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL31636154 0.78 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30190367 0.78 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10867522 0.78 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL29845548 0.78 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53

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 TSHR 1465/4885HPGD 1921/4885ALDH1A1 2823/4885

“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.