SCHEMBL2375644

SCHEMBL2375644

COC(=O)[C@H](Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.57
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 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
SCHEMBL2375646 1.00 ATM (0.68) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL3959739 1.00 ATM (0.68) ATML3MBTL1ALDH1A1THRBCYP2C9
Hydrochloric Acid SCHEMBL17822192 0.98 ATM (0.67) ATML3MBTL1ALDH1A1THRBCYP2C9
Hydrochloric Acid SCHEMBL1885087 0.98 ATM (0.67) ATML3MBTL1ALDH1A1THRBCYP2C9
Hydrochloric Acid SCHEMBL1885086 0.98 ATM (0.67) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL7260951 0.94 ATM (0.62) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL2375126 0.93 ATM (0.60) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL2375130 0.93 ATM (0.60) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5075625 0.91 ATM (0.59) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5887263 0.91 ATM (0.59) ATML3MBTL1ALDH1A1THRBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410098-A Preparation method for synthesizing alpha-aminoketone compound from fatty aldehyde and secondary amine 西北工业大学 2023-07-11 CN claimed
US-20250304603-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2025-10-02 US disclosed
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
CN-117137048-A Flavor composition, food comprising the same, and method for increasing the flavor intensity of the umami taste of food 马斯公司 2023-12-01 CN disclosed
CN-116410098-A Preparation method for synthesizing alpha-aminoketone compound from fatty aldehyde and secondary amine 西北工业大学 2023-07-11 CN disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
EP-2185506-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2010-05-19 EP disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
WO-2009026407-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2009-02-26 WO disclosed
EP-0515548-A4 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-03-10 EP disclosed
US-5183810-A Hyptoensive agents MERCK & CO., INC. (US) 1993-02-02 US disclosed
EP-0515548-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991012002-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 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 (6 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-20250304603-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ATM 4829/4885L3MBTL1 115/4885ALDH1A1 585/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ATM 4829/4885L3MBTL1 115/4885ALDH1A1 585/4885
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 ATM 4400/4885L3MBTL1 3413/4885ALDH1A1 3251/4885
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH ATM 4490/4885L3MBTL1 4198/4885ALDH1A1 781/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ATM 4829/4885L3MBTL1 115/4885ALDH1A1 585/4885
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 ATM 3883/4885L3MBTL1 3238/4885ALDH1A1 530/4885

“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.