SCHEMBL7450355

SCHEMBL7450355

CCC(O)(O)CCCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.38
SOAT1 P35610 2/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.34
FDPS P14324 11/20 0.31
GGPS1 O95749 6/20 0.31
CTSD P07339 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
SCHEMBL27564774 0.88 KMT2A (0.35) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL2721706 0.81 AKR1B1 (0.48) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL27654154 0.79 AKR1B1 (0.46) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL7634805 0.78 HMGCR (0.47) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL21015504 0.76 FFAR1 (0.38) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL20198070 0.76 MEN1 (0.38) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL27939660 0.76 SOAT1 (0.57) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL28520533 0.76 SOAT1 (0.57) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL14321929 0.75 ALDH1A1 (0.45) MEN1CYP1A2KMT2ASOAT1FAAH
SCHEMBL4147412 0.74 CYP4F2 (0.37) MEN1CYP1A2KMT2ASOAT1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035274-A1 Process for producing simvastatin and/or its derivatives DALEN FRANS VAN (NL) 2002-03-21 US disclosed
US-6271398-B1 INVOLVES THE USE OF HYDROXYL PROTECTED INTERMEDIATES THAT ALLOW FOR DIRECT ALKYLATION OF THE BUTYRATE SIDE CHAIN FOLLOWED BY DEPROTECTION AND REFORMATION OF THE LACTONE RING. SYNTHON BV (NL) 2001-08-07 US disclosed
WO-2001034590-A1 PROCESS FOR MANUFACTURING SIMVASTATIN AND THE NOVEL INTERMEDIATES BIOCON INDIA LIMITED (IN) 2001-05-17 WO disclosed
US-6100407-A Process for producing simvastatin and/or its derivatives SYTHON, B.V. (NL) 2000-08-08 US disclosed
WO-1995013283-A1 PROCESS FOR PRODUCING SIMVASTATIN AND ANALOGS THEREOF APOTEX INC. (CA) 1995-05-18 WO disclosed
US-5393893-A Alkylation of the 2-methylbutyryloxy side chain of boranediyl derivative of lovastatin yields 2-alkyl-2-methylbutyryloxy derivative, simplification, efficiency, nontoxic APOTEX, INC. (CA) 1995-02-28 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-20020035274-A1 Process for producing simvastatin and/or its derivatives HMGCR, HSD17B12, CYP3A7 MEN1 3721/4885CYP1A2 117/4885KMT2A 3819/4885

“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.