SCHEMBL598165

SCHEMBL598165

CC(=O)c1cccc(C(C)=O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
THRB P10828 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CA4 P22748 2/20 0.43
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 2/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL411156 0.95 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8879116 0.93 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL2483090 0.87 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL31024654 0.87 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL6640523 0.87 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2953498 0.86 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
Acetic Acid SCHEMBL27417814 0.85 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL8156294 0.85 KMT2A (0.56) CA12CA1CA2CA7CA9
SCHEMBL7833293 0.85 MMP2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6640962 0.85 TSHR (0.53) CA12CA1CA2CA7CA9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527680-A Polymer, photosensitive resin composition, pattern forming method, cured film, and electronic component 信越化学工业株式会社 2021-10-22 CN disclosed
CN-113527101-A Novel compound, polymer and method for producing same, photosensitive resin composition, method for forming pattern, cured film, and electronic component 信越化学工业株式会社 2021-10-22 CN disclosed
CN-107407878-B Photosensitive resin composition 东丽株式会社 2020-11-17 CN disclosed
CN-111830785-A Resin composition, method for forming pattern, method for forming cured coating, interlayer insulating film, surface protective film, and electronic component 信越化学工业株式会社 2020-10-27 CN disclosed
EP-1951708-B1 PIPERAZINE DERIVATIVE USEFUL AS A CCR5 ANTAGONIST MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
EP-1632479-B1 Pharmaceutical compositions comprising CCR5 antagonizing piperazine derivatives SCHERING CORP (US) 2011-01-12 EP disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
EP-1951708-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2008-08-06 EP disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 WO disclosed
US-20060105964-A1 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION 2006-05-18 US disclosed
EP-1632479-A2 Piperazine derivatives useful as ccr5 antagonists SCHERING CORPORATION (US) 2006-03-08 EP disclosed
EP-1175401-B1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORP (US) 2005-07-20 EP disclosed
US-20040067961-A1 Piperazine derivatives useful as CCR5 antagonists MERCK SHARP & DOHME CORP. 2004-04-08 US disclosed
US-6689765-B2 VIRICIDES; ANTIINFLAMMATORY AGENTS SCHERING CORPORATION 2004-02-10 US disclosed
US-20030069252-A1 Piperazine derivatives useful as CCR5 antagonists MERCK SHARP & DOHME CORP. 2003-04-10 US disclosed
US-6391865-B1 AIDS THERAPY; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; SKIN DISORDERS SCHERING CORPORATION 2002-05-21 US disclosed
EP-1175401-A1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2002-01-30 EP disclosed
WO-2000066558-A1 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2000-11-09 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 (4 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 CA12 4874/4885CA1 4688/4885CA2 4099/4885
US-20030069252-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 CA12 4842/4885CA1 4396/4885CA2 3215/4885
US-20040067961-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 CA12 4842/4885CA1 4396/4885CA2 3215/4885
US-20060105964-A1 Piperazine derivatives useful as CCR5 antagonists CCR5, CCR2, CXCR3 CA12 4856/4885CA1 4656/4885CA2 3791/4885

“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.