SCHEMBL3260445

SCHEMBL3260445

CCCCCOC(OCCCCC)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
THRB P10828 3/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL4594523 0.97 DNM1 (0.56) DNM1THRBTSHRCA1CA2
SCHEMBL11101061 0.97 DNM1 (0.56) DNM1THRBTSHRCA1CA2
SCHEMBL7778179 0.97 DNM1 (0.56) DNM1THRBTSHRCA1CA2
SCHEMBL6180238 0.97 DNM1 (0.56) DNM1THRBTSHRCA1CA2
SCHEMBL18240005 0.97 DNM1 (0.56) DNM1THRBTSHRCA1CA2
SCHEMBL338812 0.90 ADRB2 (0.45) DNM1THRBTSHRALDH1A1CNR1
SCHEMBL21540429 0.85 DNM1 (0.47) DNM1THRBTSHRMEN1HTT
SCHEMBL17102803 0.85 ADRB2 (0.41) DNM1THRBTSHRALDH1A1CNR1
SCHEMBL28722243 0.84 DNM1 (0.45) DNM1THRBTSHRALDH1A1CNR1
SCHEMBL7591315 0.81 DNM1 (0.52) DNM1THRBTSHRALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414386-B2 Process for the preparation of ivacaftor and its intermediates LAURUS LABS LIMITED (IN) 2022-08-16 US claimed
US-20220033352-A1 SYNTHETIC METHOD FOR THE PREPARATION OF AN ALKOXYMETHYLENE-BENZOYLACETONITRILE MEREO BIOPHARMA 1 LIMITED (GB) 2022-02-03 US claimed
EP-3856712-A1 SYNTHETIC METHOD FOR THE PREPARATION OF AN ALKOXYMETHYLENE-BENZOYLACETONITRILE Mereo BioPharma 1 Limited (GB) 2021-08-04 EP claimed
CN-112805269-A Synthetic method for preparing alkoxymethylene-benzoyl acetonitrile 梅里奥生物制药1有限公司 2021-05-14 CN claimed
US-10953256-B2 Composition comprising fluorine-containing ketone SINOCHEM LANTIAN CO., LTD (CN) 2021-03-23 US claimed
CN-107126660-B Composition containing fluoroketone 中化蓝天集团有限公司 2021-02-05 CN claimed
US-20200407323-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS ITERMEDIATES LAURUS LABS LIMITED (IN) 2020-12-31 US claimed
CN-111233923-A Quaternary phosphonium salt flame retardant and synthetic method and application thereof 上海交通大学 2020-06-05 CN claimed
WO-2020065325-A1 SYNTHETIC METHODFOR THE PREPARATION OF AN ALKOXYMETHYLENE-BENZOYLACETONITRILE MEREO BIOPHARMA 1 LIMITED (GB) 2020-04-02 WO claimed
CN-110627052-A Preparation method of water-soluble graphene 天津理工大学 2019-12-31 CN claimed
CN-110627041-A Preparation method of oil-soluble graphene 天津理工大学 2019-12-31 CN claimed
EP-3421105-A1 COMPOSITION COMPRISING FLUORINE-CONTAINING KETONE Sinochem Lantian Co., Ltd. (CN) 2019-01-02 EP claimed
US-20180244622-A1 PROCESSES FOR THE PREPARATION OF IVACAFTOR Laurus Labs Ltd. (IN) 2018-08-30 US claimed
US-20180200553-A1 COMPOSITION COMPRISING FLUORINE-CONTAINING KETONE SINOCHEM LANTIAN CO., LTD (CN) 2018-07-19 US claimed
EP-3344249-A1 PROCESSES FOR THE PREPARATION OF IVACAFTOR Laurus Labs Private Limited (IN) 2018-07-11 EP claimed
WO-2017037672-A1 PROCESSES FOR THE PREPARATION OF IVACAFTOR LAURUS LABS PRIVATE LIMITED (IN) 2017-03-09 WO claimed
WO-2015075749-A1 NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB LAURUS LABS PRIVATE LIMITED (IN) 2015-05-28 WO claimed
US-7396932-B2 Process for preparing 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US claimed
CN-113710723-B Use of functionalized alpha-angelicalactone 汉高股份有限及两合公司 2024-06-18 CN disclosed
EP-0272110-A2 Erythromycin a derivatives and method for the preparation of the same TAISHO PHARMACEUTICAL CO. LTD (JP) 1988-06-22 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-20200407323-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS ITERMEDIATES ACVR1, SLC10A2, CYP4A11 DNM1 1059/4885THRB 2482/4885TSHR 1924/4885
US-20180244622-A1 PROCESSES FOR THE PREPARATION OF IVACAFTOR F5, CYP4A11, VKORC1 DNM1 889/4885THRB 3261/4885TSHR 1603/4885
US-20220033352-A1 SYNTHETIC METHOD FOR THE PREPARATION OF AN ALKOXYMETHYLENE-BENZOYLACETONITRILE PAH, ALK, ACMSD DNM1 4324/4885THRB 1556/4885TSHR 3607/4885
US-11414386-B2 Process for the preparation of ivacaftor and its intermediates ACVR1, SLC10A2, CYP4X1 DNM1 691/4885THRB 3419/4885TSHR 1900/4885

“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.