SCHEMBL5694028

SCHEMBL5694028

CCC(C)(O)CC/C=C(\C)CCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
PTPN1 P18031 2/20 0.46
ALOX15 P16050 5/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
SNCA P37840 1/20 0.33
PDE3A Q14432 1/20 0.33
SQLE Q14534 3/20 0.32

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
SCHEMBL5694030 1.00 KDM1A (0.49) KDM1APTPN1ALOX15MEN1CYP3A4
SCHEMBL18879119 0.84 KDM1A (0.43) KDM1APTPN1ALOX15MEN1CYP3A4
SCHEMBL21180974 0.83 KDM1A (0.48) KDM1APTPN1ALOX15MEN1CYP3A4
SCHEMBL28116876 0.79 ALOX15 (0.36) ALOX15SQLE
SCHEMBL18879170 0.79 KDM1A (0.44) KDM1APTPN1ALOX15MEN1CYP3A4
SCHEMBL5693809 0.79 ALOX15 (0.62) KDM1APTPN1ALOX15MEN1CYP3A4
SCHEMBL5693810 0.79 ALOX15 (0.62) KDM1APTPN1ALOX15MEN1CYP3A4
SCHEMBL16464964 0.79 ALOX15 (0.43) ALOX15MEN1CYP3A4KMT2ASQLE
SCHEMBL16464963 0.79 ALOX15 (0.43) ALOX15MEN1CYP3A4KMT2ASQLE
SCHEMBL14030630 0.79 ALOX15 (0.45) KDM1AALOX15MEN1CYP3A4KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110932-B1 Process for the preparation of C10-C30-alkenes by partial hydrogenation of alkynes on fixed-bed palladium-supported catalysts BASF AG (DE) 2006-04-12 EP disclosed
US-6828468-B2 By base-catalyzed monoethynylation of a ketone in liquid ammonia BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US disclosed
US-20020183565-A1 Preparation of higher alpha, beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1256560-A2 Process for the preparation of higher alpha,beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-11-13 EP disclosed
EP-1110932-A2 Process for the preparation of C10-C30-alkenes by partial hydrogenation of alkynes on fixed-bed palladium-supported catalysts BASF AKTIENGESELLSCHAFT (DE) 2001-06-27 EP 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-20020183565-A1 Preparation of higher alpha, beta-unsaturated alcohols ADH1C, CHKB, PDK3 KDM1A 2345/4885PTPN1 4644/4885ALOX15 1063/4885

“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.