SCHEMBL5508943

SCHEMBL5508943

CCc1ccccc1OCC(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
MAOB P27338 3/20 0.40
TNF P01375 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL10639052 0.85 TDP1 (0.51) TDP1MAPTKMT2APOLBPDE4A
SCHEMBL10639046 0.85 TDP1 (0.51) TDP1MAPTKMT2APOLBPDE4A
SCHEMBL31616030 0.82 TDP1 (0.49) TDP1MAPTKMT2APOLBPDE4A
SCHEMBL31616042 0.82 TDP1 (0.49) TDP1MAPTKMT2APOLBPDE4A
SCHEMBL5517157 0.78 TDP1 (0.44) TDP1MAPTKMT2APOLBPDE4A
SCHEMBL5517149 0.78 TDP1 (0.44) TDP1MAPTKMT2APOLBPDE4A
SCHEMBL9109894 0.76 TDP1 (0.60) TDP1NPSR1KMT2APOLBPDE4A
SCHEMBL4626053 0.76 TDP1 (0.59) TDP1MAPTPOLBPDE4APDE4B
SCHEMBL11914467 0.76 TDP1 (0.59) TDP1MAPTPOLBPDE4APDE4B
SCHEMBL9933904 0.76 TDP1 (0.59) TDP1MAPTPOLBPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-02-02 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 US disclosed
WO-1998033765-A1 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 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 (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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 877/4885MAPT 4685/4885L3MBTL1 539/4885
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 954/4885MAPT 4764/4885L3MBTL1 648/4885

“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.