SCHEMBL3268053

SCHEMBL3268053

OCCc1ccccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.73
DRD2 P14416 4/20 0.73
ABCB1 P08183 7/20 0.61
LMNA P02545 2/20 0.59
PTGER1 P34995 1/20 0.57
PTGER4 P35408 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGER2 P43116 1/20 0.57
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL7620729 0.92 HTR1A (0.63) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL31561714 0.89 HTR1A (0.69) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL3159332 0.89 HTR1A (0.69) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL5660418 0.89 HTR1A (0.59) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL10683333 0.88 HTR1A (0.67) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL27481988 0.86 HTR1A (0.56) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL29048659 0.86 HTR1A (0.56) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL21670571 0.85 L3MBTL1 (0.67) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL17197391 0.85 HTR1A (0.79) HTR1ADRD2ABCB1LMNAPTGER1
SCHEMBL4183309 0.85 HTR1A (1.00) HTR1ADRD2ABCB1PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646246-A Process for synthesizing Levobetaxolol hydrochloride 青岛首泰农业科技有限公司 2016-06-08 CN claimed
CN-103965041-A Method for preparing 2-(4-benzyloxy phenyl)ethanol fatty acid ester HAISO TECHNOLOGY CO LTD 2014-08-06 CN claimed
CN-100532355-C Technique for synthesizing levorotatory betaxolol hydrochloride UNIV ZHENGZHOU (CN) 2009-08-26 CN claimed
CN-101085742-A Technique for synthesizing levorotatory betaxolol hydrochloride UNIV ZHENGZHOU (CN) 2007-12-12 CN claimed
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 EP disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
EP-3193881-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-02-09 EP disclosed
US-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same QUANTUM GENOMICS (FR) 2021-12-07 US disclosed
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Institut National de la Santé et de la Recherche Médicale (FR) 2021-10-07 US disclosed
CN-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
WO-1995011226-A1 SUBSTITUTED BENZENE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND BIOCIDAL COMPOSITION FOR CONTROL OF HARMFUL ORGANISMS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-04-27 WO disclosed
US-5232628-A Nonionic and anionic surfactante as textile additives, wetting or padding agents CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
US-5126474-A POLYADDUCTS OF ALKYLENE OXIDE AND STYRENE OXIDE WITH ARYL ALKANOLS CIBA-GEIGY CORPORATION (US) 1992-06-30 US disclosed
EP-0307106-B1 P- OR M-TERT BUTOXYPHENETHYL ALCOHOL AND PROCESS FOR PREPARING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-01-15 EP disclosed
EP-0355754-A2 2-Benzyloxybenzaldehyde dialkyl acetals, their preparation and use BASF Aktiengesellschaft (DE) 1990-02-28 EP disclosed
EP-0307106-A1 P- or m-tert butoxyphenethyl alcohol and process for preparing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-03-15 EP disclosed
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 HTR1A 1460/4885DRD2 3279/4885ABCB1 960/4885
US-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same ANPEP, DNPEP, ENPEP HTR1A 2938/4885DRD2 4884/4885ABCB1 1136/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 HTR1A 1460/4885DRD2 3279/4885ABCB1 960/4885
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ANPEP, DNPEP, ENPEP HTR1A 2938/4885DRD2 4884/4885ABCB1 1136/4885

“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.