SCHEMBL5987622

SCHEMBL5987622

CC(C=O)c1ccc(CCl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
TYR P14679 1/20 0.34
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ESR1 P03372 2/20 0.32
ALB P02768 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL27753553 0.84 FAAH (0.35) FAAHTSHRTP53TYRPTGS1
SCHEMBL21628043 0.82 TYR (0.46) TSHRTP53TYRPTGS2ESR1
SCHEMBL2701185 0.81 TSHR (0.47) CA2TSHRTP53TYRLMNA
SCHEMBL9124567 0.79 FAAH (0.33) FAAHCA1CA2TSHRESR1
SCHEMBL2919840 0.79 PTGS1 (0.53) FAAHTSHRPTGS1PTGS2LMNA
SCHEMBL1649474 0.79 PTGS1 (0.53) FAAHTSHRPTGS1PTGS2LMNA
SCHEMBL1178318 0.79 PTGS1 (0.53) FAAHTSHRPTGS1PTGS2LMNA
SCHEMBL27572114 0.79 HRH3 (0.41) CA1CA2SMN1; SMN2EPHX1IDO1
SCHEMBL16103898 0.79 IDO1 (0.43) FAAHTSHRTP53TYRPTGS1
SCHEMBL27633563 0.79 CA12 (0.36) FAAHCA1CA2TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448802-B Acrylamide derivative as histone deacetylase inhibitors for cancer treatment DAC SRL 2012-11-07 CN disclosed
CN-101448802-A N-hydroxy-3-(4-{3-phenyl-S-oxo-propenyl}-phenyl)-acrylamide derivatives and related compounds as histone deacetylase inhibitors for the treatment of cancer DAC SRL (IT) 2009-06-03 CN disclosed
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 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 (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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 FAAH 361/4885CA1 3074/4885CA2 2374/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 FAAH 364/4885CA1 3110/4885CA2 2356/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA FAAH 522/4885CA1 3478/4885CA2 2465/4885

“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.