SCHEMBL6656374

SCHEMBL6656374

CCOC(=O)C(Br)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
CDC25B P30305 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPBWR1 P48145 1/20 0.43
LTC4S Q16873 1/20 0.42

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
SCHEMBL20514279 1.00 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCYP1A2CYP2C9
SCHEMBL1433197 0.84 ALDH1A1 (0.53) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL7437199 0.84 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL31360448 0.83 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL15203285 0.83 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL25156303 0.83 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL10412730 0.83 ALDH1A1 (0.51) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL11264265 0.82 GAA (0.44) ALDH1A1HPGDCYP1A2KMT2AKDM4E
SCHEMBL28480579 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL283096 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 US disclosed
EP-3380970-B1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-01-04 EP disclosed
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
EP-3655398-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS Phenex-FXR GmbH (DE) 2020-05-27 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
US-4203855-A Phenoxide-halo carboxylic acid condensate additives for lubricants THE LUBRIZOL CORPORATION (US) 1980-05-20 US disclosed
US-4128488-A Overbased phenoxide-halo carboxylic acid condensate additives for lubricants THE LUBRIZOL CORPORATION (US) 1978-12-05 US disclosed
US-4061474-A Phenoxide-halo carboxylic acid condensate additives for fuels THE LUBRIZOL CORPORATION (US) 1977-12-06 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 (7 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ALDH1A1 443/4885HPGD 296/4885CDC25B 1422/4885
US-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALDH1A1 2642/4885HPGD 4292/4885CDC25B 4507/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALDH1A1 2642/4885HPGD 4292/4885CDC25B 4507/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 ALDH1A1 2016/4885HPGD 1518/4885CDC25B 4385/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 ALDH1A1 2968/4885HPGD 4302/4885CDC25B 4545/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 ALDH1A1 2845/4885HPGD 4319/4885CDC25B 4531/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALDH1A1 2622/4885HPGD 4244/4885CDC25B 4513/4885

“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.