SCHEMBL197252

SCHEMBL197252

O=C(O)[C@@H](O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
KDM6B O15054 1/20 0.57
CPA1 P15085 4/20 0.55
CPA3 P15088 3/20 0.55
FOLH1 Q04609 1/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
PTPRA P18433 1/20 0.55
SRR Q9GZT4 2/20 0.53
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
MDM2 Q00987 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL57558 1.00 CYP1A2 (0.64) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL180366 1.00 CYP1A2 (0.64) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL8953468 1.00 CYP1A2 (0.64) CYP1A2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1374834 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Methane SCHEMBL3799102 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL5800210 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1374832 0.98 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Acetone SCHEMBL16013120 0.94 ALPI (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL22767830 0.92 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
Tetramethylammonium Ion SCHEMBL9303721 0.92 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139106-A2 LONG-ACTING GIPR ANTAGONISTS NOVO NORDISK A/S (DK) 2023-07-27 WO claimed
CN-115975965-A Lactate dehydrogenase and coding gene, recombinant vector, recombinant bacterium and leavening agent thereof, and application of lactate dehydrogenase and coding gene, recombinant vector, recombinant bacterium and leavening agent 台州学院 2023-04-18 CN claimed
CN-115948303-A Chronic lactobacillus parabrueckii for simultaneously producing phenylacetaldehyde and D-phenyl lactic acid and application thereof 泸州品创科技有限公司 2023-04-11 CN claimed
CN-115524414-A Marker, kit, method, device, computer device and storage medium for evaluating fertility of spermatozoa 中信湘雅生殖与遗传专科医院有限公司 2022-12-27 CN claimed
CN-110903177-B Method for preparing levo muscone 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-108627647-A A kind of detection of posttranslational modification proteomics and quantitative approach 四川大学 2018-10-09 CN claimed
EP-2585428-B1 PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-05-10 EP claimed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US claimed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US claimed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP claimed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO claimed
US-20040053382-A1 Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) 2004-03-18 US claimed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US claimed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US claimed
EP-1326993-A2 PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU Services, Inc. (US) 2003-07-16 EP claimed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US claimed
WO-2002033110-A2 PRODUCTION OF α-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU SERVICES, INC. (US) 2002-04-25 WO claimed
EP-0446299-A4 METHOD FOR SITE-SPECIFICALLY INCORPORATING UNNATURAL AMINO ACIDS INTO PROTEINS 1992-05-13 EP claimed
EP-0446299-A1 METHOD FOR SITE-SPECIFICALLY INCORPORATING UNNATURAL AMINO ACIDS INTO PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-18 EP claimed
WO-1990005785-A1 METHOD FOR SITE-SPECIFICALLY INCORPORATING UNNATURAL AMINO ACIDS INTO PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO claimed

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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 CYP1A2 2975/4885ALPI 3189/4885PKM 3644/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 CYP1A2 1608/4885ALPI 2707/4885PKM 3118/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS CYP1A2 1283/4885ALPI 1278/4885PKM 3109/4885

“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.