SCHEMBL2807141

SCHEMBL2807141

O=C(O)CN(CCN(Cc1ccccc1)Cc1ccccc1)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
EYA2 O00167 1/20 0.56
APP P05067 1/20 0.56
ACE P12821 1/20 0.56
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL12243695 0.96 TDP1 (0.56) TDP1EYA2APPACEKDM4E
SCHEMBL2284795 0.96 TDP1 (0.56) TDP1EYA2APPACEKDM4E
SCHEMBL7564337 0.94 TDP1 (0.58) TDP1EYA2APPACEKDM4E
SCHEMBL2799777 0.94 TDP1 (0.52) TDP1EYA2APPACEKDM4E
SCHEMBL212272 0.92 AKR1B1 (0.52) TDP1EYA2APPACELMNA
SCHEMBL186172 0.90 MEP1B (0.50) TDP1LMNAHDAC3HDAC1HDAC2
SCHEMBL12222172 0.88 CALM1 (0.52) TDP1EYA2APPACEKDM4E
Ammonia Solution, Strong SCHEMBL27504556 0.88 MEP1B (0.49) TDP1LMNAHDAC3HDAC1HDAC2
SCHEMBL17714025 0.87 AKR1B1 (0.47) TDP1EYA2APPACEKDM4E
SCHEMBL11586184 0.86 MEP1B (0.47) TDP1LMNAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US disclosed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US disclosed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US disclosed
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION L'OREAL (FR) 2009-01-29 US disclosed
US-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor MEDINOX, INC. 2003-05-08 US disclosed
US-6407135-B1 NITRIC OXIDE SCAVENGER COVALENTLY BONDED TO NON-STEROIDAL ANTIINFLAMMATORY AGENT OR OTHER DRUG; SIDE EFFECT REDUCTION MEDINOX, INC. 2002-06-18 US disclosed
US-5916910-A Conjugates of dithiocarbamates with pharmacologically active agents and uses therefore MEDINOX, INC. (US) 1999-06-29 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-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor NOS1, PTGS1, NOS2 TDP1 1133/4885EYA2 4609/4885APP 3989/4885
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 TDP1 3475/4885EYA2 1170/4885APP 3701/4885
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION CUTA, SYMPK, TPRKB TDP1 2239/4885EYA2 2861/4885APP 3965/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA TDP1 3912/4885EYA2 3457/4885APP 2971/4885

“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.