SCHEMBL1463418

SCHEMBL1463418

CCC(C)CCOC([O])=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
CHRNB2 P17787 7/20 0.35
CHRNA4 P43681 7/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL3088928 0.84 ALDH1A1 (0.42) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4840226 0.82 ALOX15 (0.58) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4444751 0.82 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14400108 0.82 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6720485 0.82 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5836728 0.80 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6720487 0.80 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6790922 0.80 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL222761 0.80 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17987766 0.80 NAAA (0.47) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
CN-111655708-B 2, 3-biphosphinopyrazine derivative, process for producing the same, complex compound, catalyst, and process for producing organoboron compound 日本化学工业株式会社 2023-08-25 CN disclosed
CN-111032668-B Optically active 2,3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, and process for producing organoboron compound 日本化学工业株式会社 2022-10-14 CN disclosed
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-19 US disclosed
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-08-10 US disclosed
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-07-06 US disclosed
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-25 US disclosed
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-18 US disclosed
US-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2020-12-03 US disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 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 (8 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-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND ORC3, BMP2, TERT ALOX15 1139/4885CHRNB2 2932/4885CHRNA4 3322/4885
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 ALOX15 2278/4885CHRNB2 4538/4885CHRNA4 4272/4885
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND BPGM, COASY, BRSK2 ALOX15 1608/4885CHRNB2 1680/4885CHRNA4 2293/4885
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 ALOX15 2278/4885CHRNB2 4538/4885CHRNA4 4272/4885
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound BPGM, BRSK2, COASY ALOX15 1546/4885CHRNB2 1489/4885CHRNA4 2181/4885
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 ALOX15 2278/4885CHRNB2 4538/4885CHRNA4 4272/4885
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 ALOX15 2278/4885CHRNB2 4538/4885CHRNA4 4272/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 ALOX15 2406/4885CHRNB2 3370/4885CHRNA4 2551/4885

“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.