SCHEMBL3993907

SCHEMBL3993907

CC(C)(C)C(C(=O)O)N(CC(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
ADRA1A P35348 2/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
DRD3 P35462 1/20 0.30
BLM P54132 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
SCHEMBL19069557 0.78 TDP1 (0.33) TDP1EYA2APPACEADRA1A
SCHEMBL30987828 0.75 ALDH1A1 (0.31) TDP1EYA2APPACEADRA1A
SCHEMBL25547871 0.75 ADRA2A (0.32) TDP1EYA2APPACEADRA1A
SCHEMBL20811652 0.70 ALDH1A1 (0.32) TSHR
SCHEMBL26821507 0.68 TDP1 (0.52) TDP1EYA2APPACEADRA1A
SCHEMBL29230313 0.67 ALDH1A1 (0.33) TSHR
SCHEMBL29230314 0.67 ALDH1A1 (0.33) TSHR
SCHEMBL3440469 0.67 ALDH1A1 (0.33) TSHR
SCHEMBL9611561 0.67 FDPS (0.34) TDP1ADRA1ACHRM1ADRA2ADRD3
SCHEMBL755837 0.67 FDPS (0.34) TDP1ADRA1ACHRM1ADRA2ADRD3

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 TDP1 1170/4885EYA2 939/4885APP 1965/4885

“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.