SCHEMBL296499

SCHEMBL296499

[CH2]c1ccc(C(CCC)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 3/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP2C9 P11712 2/20 0.38

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
SCHEMBL28775409 0.85 AKR1C3 (0.50) GAAL3MBTL1ALDH1A1CYP2C19PTGS1
SCHEMBL633268 0.83 ESR1 (0.49) GAAL3MBTL1ALDH1A1CYP2C19PTGS1
SCHEMBL4269790 0.83 POLB (0.51) GAAL3MBTL1ALDH1A1POLB
SCHEMBL643461 0.82 CYP2C19 (0.53) CYP2C19LMNACYP2C9POLBCYP1A2
SCHEMBL19228532 0.82 CYP2C19 (0.53) CYP2C19LMNACYP2C9POLBCYP1A2
SCHEMBL6431027 0.81 KMT2A (0.50) GAAL3MBTL1ALDH1A1CYP2C19PTGS1
SCHEMBL6344322 0.81 POLB (0.55) CYP2C19LMNADRD3CYP2C9POLB
SCHEMBL6431696 0.81 KMT2A (0.50) GAAL3MBTL1ALDH1A1CYP2C19PTGS1
SCHEMBL22712583 0.81 LMNA (0.42) GAAL3MBTL1ALDH1A1CYP2C19PTGS1
SCHEMBL4312697 0.81 ALDH1A1 (0.46) GAAL3MBTL1ALDH1A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764168-B1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM HOFFMAN BARRETT L L C (US) 2009-11-18 EP claimed
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-7807836-B2 Preparation of perylen-3,4:9,10-tetracarboxylic dianhydride and also of naphtalene-1,8-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 2010-10-05 US disclosed
US-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US disclosed
US-7393956-B2 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2008-07-01 US disclosed
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 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 (2 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-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES CLIC1, PNPO, CLIC4 GAA 3163/4885L3MBTL1 4414/4885ALDH1A1 1464/4885
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides CBR1, CBR3, SCO2 GAA 4441/4885L3MBTL1 4448/4885ALDH1A1 2188/4885

“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.