SCHEMBL3886835

SCHEMBL3886835

C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 3/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
ATM Q13315 1/20 0.47
EPHX1 P07099 1/20 0.46
PGR P06401 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3886836 1.00 L3MBTL1 (0.62) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL29457624 1.00 L3MBTL1 (0.62) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL29457630 0.99 L3MBTL1 (0.60) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL29457660 0.99 L3MBTL1 (0.60) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL6920980 0.87 LMNA (0.54) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL29457589 0.84 L3MBTL1 (0.57) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL29457659 0.84 L3MBTL1 (0.57) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL14928515 0.84 L3MBTL1 (0.54) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL4809726 0.82 ALDH1A1 (0.60) L3MBTL1POLBKMT2AMEN1ADRB2
SCHEMBL3346271 0.82 L3MBTL1 (0.52) L3MBTL1POLBKMT2AMEN1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022074177-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-14 WO disclosed
EP-3981773-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-13 EP disclosed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS (US) 2009-10-08 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-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones TREH, ADH1A, ADH1C L3MBTL1 3325/4885POLB 854/4885KMT2A 2390/4885

“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.