SCHEMBL2720399

SCHEMBL2720399

O=C(O)C1OCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
TSHR P16473 3/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
XBP1 P17861 1/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL31445349 1.00 RAB9A (0.57) RAB9ATSHRMAPK1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11349059 0.98 RAB9A (0.56) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL8901920 0.87 RAB9A (0.58) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL8970575 0.86 RAB9A (0.57) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL16244206 0.86 RAB9A (0.57) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL9682910 0.84 RAB9A (0.56) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL3639787 0.81 TSHR (0.41) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL23286931 0.77 RAB9A (0.49) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL8634808 0.77 F2 (0.47) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL8636039 0.77 RAB9A (0.44) RAB9ATSHRMAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6078752-A None JP disclosed
CN-115521325-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-12-27 CN disclosed
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-20210317145-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
US-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CERENIS THERAPEUTICS HOLDING SA (FR) 2020-02-27 US disclosed
US-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CERENIS THERAPEUTICS HOLDING SA (FR) 2020-02-27 US disclosed
WO-2020020858-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-01-30 WO disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed
CN-1343667-A Process for producing chroman carboxylic acid compound KURARAY CO (JP) 2002-04-10 CN disclosed
US-20020035276-A1 Method for producing chroman-carboxylic acid KURARAY CO., LTD. (JP) 2002-03-21 US disclosed
EP-1184378-A1 Process for producing chroman-carboxylic acid Kuraray Co., Ltd. (JP) 2002-03-06 EP disclosed
WO-2001092250-A2 SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND INTERMEDIATES THEREOF COR THERAPEUTICS, INC. (US) 2001-12-06 WO disclosed
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
JP-H0678752-A NEW FUNGUS BELONGING TO GENUS PENICILLIUM UNIV WYOMING 1994-03-22 JP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed
US-4279910-A Quinazoline therapeutic agents PFIZER INC. (US) 1981-07-21 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 (4 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-20210317145-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 RAB9A 1087/4885TSHR 4331/4885MAPK1 1088/4885
US-20020035276-A1 Method for producing chroman-carboxylic acid CDYL, DDC, CTRC RAB9A 1973/4885TSHR 822/4885MAPK1 2337/4885
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI RAB9A 3162/4885TSHR 1496/4885MAPK1 4057/4885
US-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CETP, LIPA, NPC1L1 RAB9A 1237/4885TSHR 4630/4885MAPK1 2984/4885

“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.