SCHEMBL10085341

SCHEMBL10085341

CCC(C)(C)C(=O)SCCCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX5 P09917 1/20 0.35
RECQL P46063 1/20 0.35
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL1665086 0.91 TSHR (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1665311 0.78 TSHR (0.36) TSHRALDH1A1MEN1KMT2ARECQL
SCHEMBL12695618 0.77 NOS3 (0.40) ALDH1A1HSD17B10
SCHEMBL10085230 0.75 CYP1A2 (0.41) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL22956016 0.74 CES2 (0.42) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL22955375 0.74 CES2 (0.42) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL14566406 0.74 MEN1 (0.33) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL22500800 0.74 TSHR (0.58) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL6891006 0.72 TSHR (0.42) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL9883714 0.72 TSHR (0.56) TSHRALDH1A1LMNAMEN1KMT2A

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 28 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
US-8951754-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-20120315680-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-13 US disclosed
US-20120315680-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-13 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-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
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 4601/4885ALDH1A1 3669/4885LMNA 3323/4885
US-10246689-B2 Variant LovD polypeptide FNTA, HMGCR, PCSK9 TSHR 4624/4885ALDH1A1 3650/4885LMNA 3152/4885
US-20190169580-A1 VARIANT LovD POLYPEPTIDE FNTA, HMGCR, PCSK9 TSHR 4624/4885ALDH1A1 3650/4885LMNA 3152/4885
US-10689628-B2 Method of making variant LovD polypeptides FNTA, HMGCR, COASY TSHR 4702/4885ALDH1A1 2845/4885LMNA 2727/4885

“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.