SCHEMBL5052844

SCHEMBL5052844

CC(C)(C)OC(=O)C(O)[C@H](O)CCCCl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL28744759 1.00 KMT2A (0.34) KMT2AMEN1GAALMNACYP2D6
SCHEMBL27504700 0.83 TDP1 (0.41) KMT2AMEN1GAACYP2D6NOS1
SCHEMBL28655193 0.79 CTSK (0.38) KMT2AMEN1GAACYP2D6
SCHEMBL4274595 0.79 CTSK (0.38) KMT2AMEN1GAACYP2D6
SCHEMBL17280297 0.74 CYP2D6 (0.36) KMT2ALMNACYP2D6NOS1NOS3
SCHEMBL3431573 0.74 PDE4A (0.37) KMT2AMEN1GAALMNACYP2D6
SCHEMBL17280296 0.74 CYP2D6 (0.36) KMT2ALMNACYP2D6NOS1NOS3
SCHEMBL1260481 0.73 KMT2A (0.31) KMT2AMEN1GAALMNA
SCHEMBL27416647 0.73 MEN1 (0.36) KMT2AMEN1GAACYP2D6NOS1
SCHEMBL27537985 0.73 SMN1; SMN2 (0.36) KMT2AMEN1GAALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO claimed
CN-113621589-A Aldehyde ketone reductase KmAKR mutant, engineering bacteria and application thereof 浙江工业大学 2021-11-09 CN disclosed
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO disclosed
CN-110577940-A Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2019-12-17 CN disclosed
CN-104844457-B Preparation method for tert-butyl-(3R,5S)-6-chlorodihydroxyhexanoate 爱斯特(成都)生物制药有限公司 2017-04-12 CN disclosed
CN-104844457-B Preparation method for tert-butyl-(3R,5S)-6-chlorodihydroxyhexanoate 爱斯特(成都)生物制药有限公司 2017-04-12 CN disclosed
CN-104844457-A Preparation method for tert-butyl-(3R,5S)-6-chlorodihydroxyhexanoate ASTATECH CHENGDU PHARM CO LTD 2015-08-19 CN disclosed
CN-104844457-A Preparation method for tert-butyl-(3R,5S)-6-chlorodihydroxyhexanoate ASTATECH CHENGDU PHARM CO LTD 2015-08-19 CN disclosed
US-8617864-B2 Polynucleotides encoding ketoreductases for producing stereoisomerically pure statins and synthetic intermediates therefor CODEXIS, INC. (US) 2013-12-31 US disclosed
US-20130040364-A1 POLYNUCLEOTIDES ENCODING KETOREDUCTASES FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2013-02-14 US disclosed
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-10-09 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-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR COASY, FAR1, HMGCR KMT2A 2252/4885MEN1 3582/4885GAA 1046/4885

“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.