SCHEMBL1320105

SCHEMBL1320105

CC(CO)c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
ENPEP Q07075 1/20 0.56
PARP1 P09874 1/20 0.48
ACE2 Q9BYF1 2/20 0.48
MAPT P10636 2/20 0.47
PTGS1 P23219 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
PTGS2 P35354 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL11138504 0.86 PTGS1 (0.66) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL12247344 0.86 HDAC4 (0.56) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL12247341 0.86 HDAC4 (0.56) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL10174229 0.86 HDAC4 (0.56) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL4752633 0.84 ANPEP (0.58) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL7357638 0.84 ANPEP (0.54) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL8178980 0.84 PARP1 (0.50) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL28280150 0.84 PARP1 (0.50) ANPEPENPEPPARP1MAPTPTGS1
Acetic Acid SCHEMBL8177840 0.83 PARP1 (0.46) ANPEPENPEPPARP1MAPTPTGS1
SCHEMBL6838300 0.83 ANPEP (0.53) ANPEPENPEPPARP1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
US-10941242-B2 Amine compound, amine composition, and epoxy resin curing agent MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-09 US disclosed
EP-3441385-B1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT MITSUBISHI GAS CHEMICAL CO (JP) 2020-09-02 EP disclosed
US-20190112416-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-04-18 US disclosed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
EP-3441385-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT Mitsubishi Gas Chemical Company, Inc. (JP) 2019-02-13 EP disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-10-02 US disclosed
WO-2008034736-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed
US-20070155915-A1 Low-temperature curable epoxy resin curing agent and epoxy resin composition KUWAHARA HISAYUKI 2007-07-05 US disclosed
EP-1452554-B1 Low-temperature curable epoxy resin curing agent and epoxy resin composition MITSUBISHI GAS CHEMICAL CO (JP) 2007-05-23 EP disclosed
US-20040171770-A1 Low-temperature curable epoxy resin curing agent and epoxy resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-09-02 US disclosed
EP-1452554-A1 Low-temperature curable epoxy resin curing agent and epoxy resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-09-01 EP disclosed
US-5757408-A PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING XEROX CORPORATION (US) 1998-05-26 US disclosed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US disclosed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US disclosed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 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-20190112416-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT EHMT1, SETDB1, DOT1L ANPEP 1395/4885ENPEP 1175/4885PARP1 433/4885
US-10941242-B2 Amine compound, amine composition, and epoxy resin curing agent EHMT1, SETDB1, DOT1L ANPEP 1395/4885ENPEP 1175/4885PARP1 433/4885
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS CYP19A1, HSD17B11, SHBG ANPEP 2074/4885ENPEP 873/4885PARP1 3703/4885

“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.