SCHEMBL7253640

SCHEMBL7253640

CCCCCCCC(O)C(C)C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.74
ZDHHC7 Q9NXF8 1/20 0.58
SPHK1 Q9NYA1 2/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
GPR84 Q9NQS5 4/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
ASAH1 Q13510 1/20 0.44
MAPT P10636 2/20 0.43
BIRC2 Q13490 1/20 0.43
CYP2D6 P10635 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL16985566 1.00 ABCB1 (0.74) ABCB1ZDHHC7SPHK1CA1CA2
SCHEMBL27518239 0.98 ABCB1 (0.71) ABCB1ZDHHC7SPHK1CA1CA2
SCHEMBL10370118 0.85 ABCB1 (0.60) ABCB1ZDHHC7SPHK1GPR84FFAR1
SCHEMBL27543981 0.84 ABCB1 (0.54) ABCB1ZDHHC7CA1CA2LMNA
SCHEMBL12341004 0.83 ZDHHC7 (0.59) ABCB1ZDHHC7SPHK1CA1CA2
SCHEMBL7895360 0.83 ZDHHC7 (0.59) ABCB1ZDHHC7SPHK1CA1CA2
SCHEMBL9427279 0.83 ZDHHC7 (0.59) ABCB1ZDHHC7SPHK1CA1CA2
SCHEMBL22612517 0.83 ZDHHC7 (0.59) ABCB1ZDHHC7CA1CA2GPR84
SCHEMBL10577082 0.81 ZDHHC7 (0.58) ABCB1ZDHHC7SPHK1CA1CA2
SCHEMBL10583618 0.81 ZDHHC7 (0.58) ABCB1ZDHHC7SPHK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605716-B2 By Reformatsky rearrangement of aldehydes, ketones, or imines in presence of zinc CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIES, GMBH (DE) 2003-08-12 US disclosed
US-20020013501-A1 Process for the preparation of hydroxy and amino compounds CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-01-31 US disclosed
EP-1167325-A1 Process for preparing hydroxy and amino compounds Consortium für elektrochemische Industrie GmbH (DE) 2002-01-02 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-20020013501-A1 Process for the preparation of hydroxy and amino compounds BCKDK, KHK, HRH1 ABCB1 4653/4885ZDHHC7 177/4885SPHK1 2573/4885

“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.