SCHEMBL3598246

SCHEMBL3598246

OCc1cccnc1OCCCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAAA Q02083 1/20 0.43
DAGLA Q9Y4D2 2/20 0.41
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3598056 0.85 NAAA (0.43) HCAR2NAAADAGLAFFAR1ABCB1
Bromide SCHEMBL7611843 0.80 HCAR2 (0.39) HCAR2NAAADAGLAFFAR1ABCB1
SCHEMBL13443127 0.80 MEN1 (0.50) MEN1KMT2AKDM4EABCB1HTR1A
SCHEMBL3606812 0.79 NPC1 (0.54) HCAR2KMT2ADAGLAFFAR1KDM4E
SCHEMBL2292383 0.78 TP53 (0.49) MEN1KMT2AFFAR1HTR1ADRD2
SCHEMBL17214125 0.77 KDM4E (0.48) HCAR2KDM4ECYP11B1CYP11B2
SCHEMBL3600150 0.77 CYP11B1 (0.46) HCAR2NAAAFFAR1KDM4ECYP11B1
SCHEMBL27564972 0.77 TDP1 (0.47) HCAR2MEN1KMT2ANAAAABCB1
SCHEMBL10650358 0.76 HTR1A (0.50) MEN1KMT2AFFAR1HTR1ADRD2
SCHEMBL16057371 0.75 BID (0.47) DAGLA

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
CN-1390193-A Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AG (DE) 2003-01-08 CN disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA HCAR2 28/4885MEN1 2233/4885KMT2A 3707/4885

“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.