SCHEMBL6902850

SCHEMBL6902850

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.61
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
SNCA P37840 1/20 0.41
PDE3A Q14432 1/20 0.41
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.39
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL6902845 1.00 PTPN1 (0.61) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL11571568 0.92 PTPN1 (0.48) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL11571569 0.92 PTPN1 (0.48) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL6907667 0.82 KDM1A (0.59) PTPN1MEN1CYP3A4ALOX15KMT2A
SCHEMBL6907669 0.82 KDM1A (0.59) PTPN1MEN1CYP3A4ALOX15KMT2A
SCHEMBL10411567 0.81 PTPN1 (0.61) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL13277590 0.81 PTPN1 (0.61) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL10411568 0.81 PTPN1 (0.61) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL214389 0.81 PTPN1 (0.61) PTPN1LMNAPTGS1PDE4ASNCA
SCHEMBL31211760 0.81 PTPN1 (0.61) PTPN1LMNAPTGS1PDE4ASNCA

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 PTPN1 4791/4885LMNA 4281/4885PTGS1 1318/4885

“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.