SCHEMBL6891006

SCHEMBL6891006

CCC(C)(C)C(=O)SCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
CYP1A2 P05177 2/20 0.42
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
THRB P10828 1/20 0.35
AKR1B1 P15121 1/20 0.33
RIPK1 Q13546 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 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
SCHEMBL8308703 0.80 TSHR (0.48) TSHRCYP1A2KMT2ATDP1HSD17B10
SCHEMBL1665086 0.80 TSHR (0.44) TSHRKMT2AHSD17B10LMNAALDH1A1
SCHEMBL10085230 0.79 CYP1A2 (0.41) TSHRCYP1A2KMT2ATDP1LMNA
SCHEMBL12149865 0.78 RIPK1 (0.31) TDP1RIPK1
SCHEMBL13522419 0.77 RIPK1 (0.31) RIPK1
SCHEMBL12695618 0.77 NOS3 (0.40) TDP1HSD17B10ALDH1A1THRB
SCHEMBL11671380 0.75 ALDH1A1 (0.42) TSHRCYP1A2ALDH1A1RIPK1
SCHEMBL22956016 0.73 CES2 (0.42) TSHRKMT2ATDP1HSD17B10ALDH1A1
SCHEMBL22955375 0.73 CES2 (0.42) TSHRKMT2ATDP1HSD17B10ALDH1A1
SCHEMBL14566406 0.73 MEN1 (0.33) CYP1A2KMT2AHDAC3HDAC1HDAC2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793884-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-06 US disclosed
US-10689628-B2 Method of making variant LovD polypeptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-23 US disclosed
US-20190169580-A1 VARIANT LovD POLYPEPTIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-06 US disclosed
US-10246689-B2 Variant LovD polypeptide THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-02 US disclosed
US-9970037-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-15 US disclosed
US-9970037-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-15 US disclosed
US-20170029790-A1 VARIANT LovD POLYPEPTIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-02 US disclosed
US-20170029790-A1 VARIANT LovD POLYPEPTIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-02 US disclosed
US-9499803-B2 Variant LovD polypeptide THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-22 US disclosed
US-9499803-B2 Variant LovD polypeptide THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-22 US disclosed
CN-102712678-A Improved LOV-D acyltransferase mediated acylation CODEXIS INC 2012-10-03 CN disclosed
EP-2483293-A1 IMPROVED LOV-D ACYLTRANSFERASE MEDIATED ACYLATION Codexis, Inc. (US) 2012-08-08 EP disclosed
US-20120190038-A1 LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US disclosed
US-20120190038-A1 LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US disclosed
US-8211664-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 US disclosed
US-8211664-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 US disclosed
EP-2032715-B1 Methods and materials for making simvastatin and related compounds UNIV CALIFORNIA (US) 2012-02-01 EP disclosed
WO-2011044496-A2 LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-14 WO disclosed
US-20090191602-A1 Methods and Materials for Making Simvastatin and Related Compounds INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-07-30 US disclosed
US-20090191602-A1 Methods and Materials for Making Simvastatin and Related Compounds INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-07-30 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 (4 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-20170029790-A1 VARIANT LovD POLYPEPTIDE FNTA, PCSK9, HMGCR TSHR 4601/4885CYP1A2 2095/4885KMT2A 1901/4885
US-10246689-B2 Variant LovD polypeptide FNTA, HMGCR, PCSK9 TSHR 4624/4885CYP1A2 1983/4885KMT2A 1938/4885
US-20190169580-A1 VARIANT LovD POLYPEPTIDE FNTA, HMGCR, PCSK9 TSHR 4624/4885CYP1A2 1983/4885KMT2A 1938/4885
US-10689628-B2 Method of making variant LovD polypeptides FNTA, HMGCR, COASY TSHR 4702/4885CYP1A2 1705/4885KMT2A 2000/4885

“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.