SCHEMBL812501

SCHEMBL812501

CN(C)C(=O)CCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.58
TSHR P16473 5/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL20993533 0.97 TSHR (0.60) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL21703159 0.97 TSHR (0.60) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL4815884 0.97 TSHR (0.60) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL6688889 0.95 ALDH1A1 (0.61) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL131476 0.89 ALDH1A1 (0.74) ALDH1A1LMNACHRNB2CHRNB4CHRNA4
SCHEMBL3189950 0.86 ALDH1A1 (0.70) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL15217119 0.85 EPHX2 (0.64) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL12886622 0.84 EPHX2 (0.62) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL322794 0.83 PHF8 (0.64) ALDH1A1LMNASLC22A6OR51E2CHRNB2
SCHEMBL5948495 0.83 ALDH1A1 (0.74) ALDH1A1LMNATSHRSLC22A6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197588-B2 Use of amides and/or polyamides as auxiliary agents for asphalt and bitumen compositions Cognia IP Management GmbH (DE) 2012-06-12 US disclosed
EP-2345702-A1 Paint and coating remover compositions Cognis IP Management GmbH (DE) 2011-07-20 EP disclosed
US-20110118391-A1 USE OF AMIDES AND/OR POLYAMIDES AS AUXILIARY AGENTS FOR ASPHALT AND BITUMEN COMPOSITIONS COGNIS IP MANAGEMENT GMBH (DE) 2011-05-19 US disclosed
WO-2009103445-A1 USE OF AMIDES AND/OR POLYAMIDES AS AUXILIARY AGENTS FOR ASPHALT AND BITUMEN COMPOSITIONS COGNIS IP MANAGEMENT GMBH (DE) 2009-08-27 WO disclosed
EP-2093257-A1 Use of amides and/or polyamides as auxiliary agents for asphalt and bitumen compositions Cognis IP Management GmbH (DE) 2009-08-26 EP 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-20110118391-A1 USE OF AMIDES AND/OR POLYAMIDES AS AUXILIARY AGENTS FOR ASPHALT AND BITUMEN COMPOSITIONS SRM, NAAA, CEPT1 ALDH1A1 3523/4885LMNA 484/4885TSHR 4746/4885

“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.