SCHEMBL1531069

SCHEMBL1531069

[CH2]C(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC1 Q13547 1/20 0.59
HAO1 Q9UJM8 1/20 0.56
DEGS1 O15121 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
KMO O15229 1/20 0.47
NAMPT P43490 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ACMSD Q8TDX5 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC6A7 Q99884 1/20 0.46

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
SCHEMBL2744667 0.84 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL341579 0.83 HDAC8 (0.63) HDAC8HDAC6HDAC1HAO1DEGS1
Hydrochloric Acid SCHEMBL4986176 0.82 HDAC8 (0.58) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL22291720 0.82 KMO (0.62) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL354930 0.82 KMO (0.62) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL10011074 0.82 HDAC8 (0.61) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL17963141 0.82 HDAC8 (0.61) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL4742964 0.81 HDAC8 (0.66) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL15081033 0.80 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1
SCHEMBL6822864 0.80 HDAC8 (0.59) HDAC8HDAC6HDAC1HAO1DEGS1

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
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 EP disclosed
US-4778799-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY AGENT TIBES ULRICH (DE) 1988-10-18 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 (3 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 HDAC8 1007/4885HDAC6 1592/4885HDAC1 591/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 HDAC8 1855/4885HDAC6 1734/4885HDAC1 632/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 HDAC8 1007/4885HDAC6 1592/4885HDAC1 591/4885

“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.