SCHEMBL6890970

SCHEMBL6890970

CCCC(=O)SCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.41
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
POLB P06746 2/20 0.39
POLA1 P09884 1/20 0.39
RECQL P46063 1/20 0.38
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL11070998 0.82 TSHR (0.44) TSHRALDH1A1CA12CA14POLB
SCHEMBL23352453 0.81 TSHR (0.44) TSHRALDH1A1CA12CA14POLB
SCHEMBL23234314 0.81 HSD17B10 (0.44) TSHRALDH1A1CA12CA14POLB
SCHEMBL10556381 0.77 EPHX2 (0.55) POLBRECQLHSD17B10MEN1KMT2A
SCHEMBL23352573 0.75 TSHR (0.47) TSHRALDH1A1POLBRECQLHSD17B10
SCHEMBL11851998 0.75 FFAR3 (0.50) TSHRALDH1A1POLBHDAC3HDAC1
SCHEMBL13685 0.73
SCHEMBL27459073 0.73 TSHR (0.71) TSHRALDH1A1CA12CA14POLB
SCHEMBL19546247 0.72 TSHR (0.46) TSHRALDH1A1CA12CA14POLB
Hexane SCHEMBL10388604 0.72 TSHR (0.62) TSHRALDH1A1CA12CA14POLB

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
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 4601/4885ALDH1A1 3669/4885CA12 3716/4885
US-10246689-B2 Variant LovD polypeptide FNTA, HMGCR, PCSK9 TSHR 4624/4885ALDH1A1 3650/4885CA12 3798/4885
US-20190169580-A1 VARIANT LovD POLYPEPTIDE FNTA, HMGCR, PCSK9 TSHR 4624/4885ALDH1A1 3650/4885CA12 3798/4885
US-10689628-B2 Method of making variant LovD polypeptides FNTA, HMGCR, COASY TSHR 4702/4885ALDH1A1 2845/4885CA12 3832/4885

“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.