SCHEMBL5061699

SCHEMBL5061699

c1ccc2c(c1)C[C@H]1O[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HTR2A P28223 5/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM1A O60341 4/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2C P28335 4/20 0.39
HRH1 P35367 4/20 0.39

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
SCHEMBL8201616 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL2370159 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL2696782 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL20384849 0.94 KMT2A (0.42) KMT2AHTR2AGRIN2DGRIN3BGRIN1
Benzonitrile SCHEMBL8546884 0.84 TSHR (0.47) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL31546141 0.78 KMT2A (0.39) KMT2A
SCHEMBL7108519 0.77 IDO1 (0.47) HTR2A
SCHEMBL28971366 0.77 IDO1 (0.47) HTR2A
SCHEMBL5852603 0.77 IDO1 (0.47) HTR2A
SCHEMBL1109727 0.77 IDO1 (0.47) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235923-A1 BIOCATALYTIC EPOXIDATION OF VINYLAROMATIC COMPOUNDS Eidgenössische Technische Hochschule Zürich (CH) 2002-09-04 EP claimed
EP-1106699-A1 Biocatalytic epoxidation of vinylaromatic compounds Eidgenössische Technische Hochschule Zürich (CH) 2001-06-13 EP claimed
WO-2001036654-A1 BIOCATALYTIC EPOXIDATION OF VINYLAROMATIC COMPOUNDS Eidgenössische Technische Hochschule Zürich (CH) 2001-05-25 WO claimed
US-10376481-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2019-08-13 US disclosed
EP-2887964-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2019-07-03 EP disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
US-20160097063-A1 Production Of Enantiopure alpha-Hydroxy Carboxylic Acids From Alkenes By Cascade Biocatalysis NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-04-07 US disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
WO-2001036654-A1 BIOCATALYTIC EPOXIDATION OF VINYLAROMATIC COMPOUNDS Eidgenössische Technische Hochschule Zürich (CH) 2001-05-25 WO disclosed
EP-0784698-A4 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE MERCK & CO INC (US) 1999-07-14 EP disclosed
US-5849568-A Resolution of racemic indene oxide to yield (1S,2R)-indene oxide using Diplodia gossipina MERCK & CO., INC. (US) 1998-12-15 US disclosed
CN-1190994-A Method for quantitative conversion of indene to (1S,2R) -indene oxide and (1S,2R) -indandiol by haloperoxidase bioconversion combined with chemical steps MERCK & CO INC (US) 1998-08-19 CN disclosed
EP-0784698-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE Merck & Co., Inc. (US) 1997-07-23 EP disclosed
US-5605819-A USING BROMIDE ION AND HYDROGEN PEROXIDE MERCK & CO., INC. (US) 1997-02-25 US disclosed
WO-1996036724-A1 QUANTITATIVE CONVERSION OF INDENE TO (1S,2R) INDENE OXIDE AND (1S,2R)-INDANDIOL BY COMBINATION OF HALOPEROXIDASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1996-11-21 WO disclosed
WO-1996036724-A1 QUANTITATIVE CONVERSION OF INDENE TO (1S,2R) INDENE OXIDE AND (1S,2R)-INDANDIOL BY COMBINATION OF HALOPEROXIDASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1996-11-21 WO disclosed
WO-1996012818-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE MERCK & CO., INC. (US) 1996-05-02 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 (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-10376481-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP2 KMT2A 3985/4885HTR2A 1156/4885GRIN2D 1953/4885
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 KMT2A 3985/4885HTR2A 1156/4885GRIN2D 1953/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI KMT2A 3591/4885HTR2A 1230/4885GRIN2D 2925/4885

“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.