SCHEMBL6907667

SCHEMBL6907667

[CH]=C/C=C(\C)CC/C=C(\C)CCCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.59
PTPN1 P18031 2/20 0.49
SQLE Q14534 4/20 0.41
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
UGT1A1 P22309 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6907669 1.00 KDM1A (0.59) KDM1APTPN1SQLEKMT2AMAPT
SCHEMBL11571569 0.89 PTPN1 (0.48) KDM1APTPN1
SCHEMBL11571568 0.89 PTPN1 (0.48) KDM1APTPN1
SCHEMBL2579524 0.85 KDM1A (0.71) KDM1APTPN1SQLEKMT2AMAPT
SCHEMBL29663830 0.83 KDM1A (0.64) KDM1APTPN1SQLEKMT2AALDH1A1
SCHEMBL8735440 0.83 KDM1A (0.64) KDM1APTPN1SQLEKMT2AALDH1A1
SCHEMBL6902845 0.82 PTPN1 (0.61) KDM1APTPN1KMT2AMEN1CYP3A4
SCHEMBL6902850 0.82 PTPN1 (0.61) KDM1APTPN1KMT2AMEN1CYP3A4
SCHEMBL11388757 0.82 KDM1A (0.67) KDM1APTPN1SQLEKMT2AMAPT
SCHEMBL11388752 0.82 KDM1A (0.67) KDM1APTPN1SQLEKMT2AMAPT

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-6703527-B2 REACTING ALLYL ALCOHOL COMPOUND SUCH AS 2E,6E-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL WITH HYDRIDE ACCEPTOR SUCH AS 2-NITROBENZALDEHYDE IN THE PRESENCE OF AN ALUMINIUM ALKOXIDE AS AN OPPENAUER OXIDATION CATALYST NIKKEN CHEMICALS CO., LTD. (JP) 2004-03-09 US disclosed
US-20020198411-A1 Method for oxidation of allyl alcohol NIKKEN CHEMICALS CO., LTD. (JP) 2002-12-26 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-20020198411-A1 Method for oxidation of allyl alcohol ADH1A, ADH1C, ADH5 KDM1A 1170/4885PTPN1 4791/4885SQLE 137/4885

“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.