SCHEMBL4444751

SCHEMBL4444751

CCC(C)CCOC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.38
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL3088926 0.88 ALOX15 (0.48) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3088928 0.84 ALDH1A1 (0.42) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL6720485 0.82 ALOX15 (0.40) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL14400108 0.82 ALOX15 (0.40) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL4840226 0.82 ALOX15 (0.58) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL1463418 0.82 ALOX15 (0.40) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL15899372 0.81 ALDH1A1 (0.42) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6720487 0.80 ALOX15 (0.39) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL222761 0.80 ALOX15 (0.39) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL6790922 0.80 ALOX15 (0.39) ALOX15MAPTCHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
CN-111655708-A 2, 3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, chiral catalyst, and process for producing organoboron compound 日本化学工业株式会社 2020-09-11 CN disclosed
CN-111032668-A Optically active 2, 3-bisphosphinylpyrazine derivative, method for producing same, transition metal complex, and method for producing organoboron compound 日本化学工业株式会社 2020-04-17 CN disclosed
WO-2019172150-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND 日本化学工業株式会社 2019-09-12 WO disclosed
CN-105155277-A Sheet-like material and method for producing same TORAY INDUSTRIES 2015-12-16 CN disclosed
EP-0655995-A1 CYCLOHEXENONOXIME ETHERS, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1995-06-07 EP disclosed
EP-0625975-A1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES. BASF AG (DE) 1994-11-30 EP disclosed
EP-0625974-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-11-30 EP disclosed
EP-0609259-A1 CYCLOHEXENONE DERIVATES USED AS HERBICIDES. BASF AG (DE) 1994-08-10 EP 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-1994004489-A1 CYCLOHEXENONOXIME ETHERS, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed
WO-1993016063-A1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
WO-1993016062-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO 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
WO-1993008153-A1 CYCLOHEXENONE DERIVATES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-29 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 (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-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 1139/4885MAPT 4211/4885CHRNB2 2932/4885
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 1608/4885MAPT 4514/4885CHRNB2 1680/4885
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 1546/4885MAPT 4508/4885CHRNB2 1489/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 ALOX15 2406/4885MAPT 4790/4885CHRNB2 3370/4885

“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.