SCHEMBL95448

SCHEMBL95448

Cc1ccc2c(c1)C(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
KDM4E B2RXH2 5/20 0.50
ATM Q13315 3/20 0.49
HTT P42858 3/20 0.49
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
RAD52 P43351 1/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL28432086 0.91 MMP12 (0.47) MMP12KDM4EATMHTTCYP19A1
SCHEMBL8773544 0.89 MMP12 (0.49) MMP12KDM4EATMHTTCYP19A1
SCHEMBL28426296 0.88 CYP19A1 (0.49) MMP12KDM4EATMHTTCYP19A1
SCHEMBL10962514 0.85 MMP12 (0.46) MMP12KDM4EATMHTTCYP19A1
SCHEMBL2056164 0.84 MAOB (0.54) MMP12KDM4ECYP19A1KMT2AMEN1
SCHEMBL68886 0.81 RAB9A (0.51) MMP12KDM4EATMHTTCYP19A1
SCHEMBL2760390 0.78 ALDH1A1 (0.54) MMP12KDM4ECYP19A1KMT2ARAB9A
SCHEMBL10977113 0.78 METAP1 (0.53) MMP12KDM4EATMHTTCYP19A1
SCHEMBL5539912 0.78 HSD17B10 (0.45) MMP12KDM4EKMT2ARAB9AMEN1
SCHEMBL7476730 0.77 MMP12 (0.66) MMP12KDM4ECYP19A1KMT2ARAB9A

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
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
CN-111100101-B Catalytic synthesis method of 3-benzofuranone compounds 浙江万里学院 2022-11-11 CN disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
CN-111100101-A Catalytic synthesis method of 3-benzofuranone compounds 浙江万里学院 2020-05-05 CN disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-9488914-B2 Fluorine-containing sulfonic acid salt, fluorine-containing sulfonic acid salt resin, resist composition, and pattern forming method using same CENTRAL GLASS COMPANY, LIMITED (JP) 2016-11-08 US disclosed
US-9488914-B2 Fluorine-containing sulfonic acid salt, fluorine-containing sulfonic acid salt resin, resist composition, and pattern forming method using same CENTRAL GLASS COMPANY, LIMITED (JP) 2016-11-08 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-20150198879-A1 Fluorine-Containing Sulfonic Acid Salt, Fluorine-Containing Sulfonic Acid Salt Resin, Resist Composition, and Pattern Forming Method Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-07-16 US disclosed
WO-2013111667-A1 FLUORINE-CONTAINING SULFONIC ACID SALT, FLUORINE-CONTAINING SULFONIC ACID SALT RESIN, RESIST COMPOSITION, AND PATTERN FORMING METHOD USING SAME セントラル硝子株式会社 (JP) 2013-08-01 WO disclosed
US-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNATIONAL, S.A. (ES) 2012-03-08 US disclosed
CN-1154646-C As α2Benzisoxazoles and phenones as antagonists ղɭҩҵ���޹�˾ 2004-06-23 CN disclosed
EP-1140934-B1 BENZISOXAZOLES AND PHENONES AS ALPHA-2-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2003-10-08 EP disclosed
US-6576640-B1 Rapidly penetration into central nervous system; treating noradrenaline deficiency; depression, Parkinson's disease JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-10 US disclosed
EP-1119571-B1 TRICYCLIC DELTA3-PIPERIDINES AS ALPHA2-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2003-02-19 EP disclosed
US-6495555-B1 CENTRAL ALPHA2-ADRENOCEPTOR ANTAGONISTS; DEPRESSION; PARKINSON'S DISEASE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-17 US disclosed
CN-1331692-A Benzisozazoles and phenones as alpha antagonist JANSSEN PHARMACEUTICA NV (BE) 2002-01-16 CN disclosed
EP-1140934-A1 BENZISOXAZOLES AND PHENONES AS $g(a) 2?-ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-10-10 EP disclosed
WO-2000037466-A1 BENZISOXAZOLES AND PHENONES AS α2-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 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 (5 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-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN MTNR1A, MTNR1B, CRY2 MMP12 2930/4885KDM4E 958/4885ATM 3975/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MMP12 3284/4885KDM4E 1197/4885ATM 4625/4885
US-20150198879-A1 Fluorine-Containing Sulfonic Acid Salt, Fluorine-Containing Sulfonic Acid Salt Resin, Resist Composition, and Pattern Forming Method Using Same RER1, SMARCC1, SMCHD1 MMP12 3525/4885KDM4E 2052/4885ATM 3777/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MMP12 3634/4885KDM4E 1372/4885ATM 4707/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MMP12 3284/4885KDM4E 1197/4885ATM 4625/4885

“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.