SCHEMBL889910

SCHEMBL889910

C/C(=C/CCC(C)O)CCCN(CCO)CCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 5/20 0.39
KDM4E B2RXH2 1/20 0.37
PTPN1 P18031 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
LSS P48449 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
UGT1A1 P22309 1/20 0.31
KMT2A Q03164 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
SCHEMBL889962 0.85 SQLE (0.39) SQLEKDM4EPTPN1KDM1ALSS
SCHEMBL889883 0.83 SQLE (0.55) SQLEKDM4EPTPN1KDM1AALDH1A1
SCHEMBL890016 0.78 ALDH1A1 (0.40) SQLEPTPN1KDM1AALDH1A1MEN1
SCHEMBL890017 0.78 LSS (0.34) LSS
SCHEMBL1658396 0.75 KDM1A (0.41) SQLEKDM4EPTPN1KDM1ALSS
SCHEMBL1658397 0.75 KDM1A (0.41) SQLEKDM4EPTPN1KDM1ALSS
SCHEMBL8907996 0.75 KDM1A (0.57) SQLEKDM4EPTPN1KDM1AKMT2A
SCHEMBL889889 0.75 SQLE (0.47) SQLEKDM4EKDM1AALDH1A1ALOX15
SCHEMBL28611202 0.73 TDP1 (0.33) ALDH1A1MAPT
SCHEMBL3376001 0.73 LSS (0.40) SQLEKDM1ALSSMAPTMEN1

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 SQLE 94/4885KDM4E 4479/4885PTPN1 3168/4885

“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.