SCHEMBL3993911

SCHEMBL3993911

CC(C)(CCC(=O)O)NC(C)(C)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.50
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 4/20 0.40
EGLN1 Q9GZT9 3/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SLC15A2 Q16348 1/20 0.38
TSHR P16473 4/20 0.37

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
SCHEMBL16153007 0.82 NAALAD2 (0.48) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL19173121 0.80 NAALAD2 (0.39) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL10443837 0.78 ALDH1A1 (0.38) NAALAD2ALDH1A1MEN1KMT2ALMNA
SCHEMBL10444118 0.78 NAALAD2 (0.35) NAALAD2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5497723 0.77 NAALAD2 (0.44) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL11529406 0.75 NAALAD2 (0.50) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL15100349 0.75 NAALAD2 (0.50) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL120318 0.75
SCHEMBL28173158 0.73 NAALAD2 (0.41) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL23355141 0.72 HMGCR (0.52) NAALAD2ALDH1A1FFAR3TSHRHIF1A

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
CN-119365471-A Novel thiol reducing agents, methods and uses thereof 苏州佰睿壹生物技术有限公司 2025-01-24 CN disclosed
EP-2864457-B1 FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS CASTROL LTD (GB) 2017-08-16 EP disclosed
US-9217117-B2 Friction modifier and their use in lubricants and fuels CASTROL LIMITED (GB) 2015-12-22 US disclosed
US-20150218479-A1 FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS CASTROL LIMITED (GB) 2015-08-06 US disclosed
EP-2864457-A1 FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS Castrol Limited (GB) 2015-04-29 EP disclosed
WO-2013189675-A1 FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS CASTROL LIMITED (GB) 2013-12-27 WO disclosed
EP-1694329-A4 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATES ATON PHARMA INC (US) 2009-06-03 EP disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
EP-1694329-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATES Aton Pharma, Inc. (US) 2006-08-30 EP disclosed
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 WO disclosed
US-6759509-B1 CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER BRISTOL-MYERS SQUIBB COMPANY 2004-07-06 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-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives AADAC, BRDT, HDAC5 NAALAD2 267/4885ALDH1A1 930/4885MEN1 3081/4885

“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.