SCHEMBL171282

SCHEMBL171282

CC(=O)NCc1cccc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
FBP1 P09467 2/20 0.54
TP53 P04637 1/20 0.52
ASAH1 Q13510 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ESR1 P03372 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.49
MAOB P27338 1/20 0.48
KIF11 P52732 1/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL30190006 1.00 MMP13 (0.60) MMP13KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1434369 0.93 SMN1; SMN2 (0.60) MMP13KDM4EALDH1A1HSD17B10HPGD
SCHEMBL14679426 0.89 MMP13 (0.54) MMP13KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1899410 0.88 NPSR1 (0.57) KDM4EALDH1A1HPGDNPSR1ESR1
SCHEMBL1684294 0.87 MMP13 (0.62) MMP13KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4341722 0.85 CYP1A2 (0.58) KDM4EALDH1A1HPGDFBP1NPSR1
SCHEMBL5527522 0.84 KDM4E (0.61) MMP13KDM4EALDH1A1HSD17B10HPGD
Toluene SCHEMBL29122543 0.83 SMN1; SMN2 (0.68) ALDH1A1HPGDTP53POLBMAPT
SCHEMBL19277751 0.82 ALDH1A1 (0.59) MMP13KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8257957 0.82 TSHR (0.58) MMP13KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
WO-2022111222-A1 AMIDE DERIVATIVE SERVING AS PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST, AND USE THEREOF 安润医药科技(苏州)有限公司 2022-06-02 WO disclosed
US-20220128919-A1 TONER CANON KABUSHIKI KAISHA (JP) 2022-04-28 US disclosed
EP-3350170-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-01-26 EP disclosed
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US disclosed
EP-1534715-B1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2007-08-15 EP disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 MMP13 3885/4885KDM4E 1854/4885ALDH1A1 401/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B MMP13 383/4885KDM4E 772/4885ALDH1A1 457/4885
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MMP13 4515/4885KDM4E 1936/4885ALDH1A1 3403/4885

“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.