SCHEMBL3264782

SCHEMBL3264782

CC1OC1(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2C9 P11712 8/20 0.44
CYP2C19 P33261 6/20 0.44
CYP19A1 P11511 5/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 2/20 0.44
ADRA1A P35348 1/20 0.44
CYP51A1 Q16850 1/20 0.44
THRB P10828 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP17A1 P05093 1/20 0.38
PTGS2 P35354 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL31454781 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3949948 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8812022 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL300482 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL2346412 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL17777817 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL7989762 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8574154 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3955770 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL29858099 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617241-B2 Intermediate compounds and process for the preparation of efinaconazole MAPI PHARMA LTD. (IL) 2017-04-11 US claimed
US-20160355500-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF EFINACONAZOLE MAPI PHARMA LTD. (IL) 2016-12-08 US claimed
WO-2016079728-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF EFINACONAZOLE MAPI PHARMA LTD. (IL) 2016-05-26 WO claimed
WO-2024258316-A1 NOVEL POTENTIAL ANTIFUNGAL AGENTS BASED ON THIAZOLIDINE-2,4-DIONE AND A TRIAZOLE Общество с ограниченной ответственностью "Л-Био" 2024-12-19 WO disclosed
CN-117756783-A Preparation method of difluprednate 浙江东亚药业股份有限公司 2024-03-26 CN disclosed
CN-110997646-B Process for producing epoxy alcohol compound 住友化学株式会社 2023-06-20 CN disclosed
CN-113929660-B Ring opening method of ethylene oxide derivative 深圳市海滨制药有限公司 2022-10-04 CN disclosed
EP-3666762-B1 METHOD FOR PRODUCING EPOXY ALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-04-06 EP disclosed
US-10730861-B2 Process for producing epoxy alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-08-04 US disclosed
EP-3666762-A1 METHOD FOR PRODUCING EPOXY ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2020-06-17 EP disclosed
US-20200172520-A1 PROCESS FOR PRODUCING EPOXY ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-04 US disclosed
EP-0698606-A1 AZOLYLAMINE DERIVATIVE KAKEN PHARMACEUTICAL CO., LTD. (JP) 1996-02-28 EP disclosed
US-5489606-A FUNGICIDES, HUMAN, VETERNARY MEDICINE SANKYO COMPANY, LIMITED (JP) 1996-02-06 US disclosed
WO-1995025107-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1995-09-21 WO disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
US-5393769-A Thio-, sulfinyl- or sulfonyl-substituted SANKYO COMPANY, LIMITED (JP) 1995-02-28 US disclosed
US-5387599-A Fungicide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
EP-0446877-A2 Triazoles, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
EP-0322800-A1 Process for preparation of sulfone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-07-05 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 (3 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-20200172520-A1 PROCESS FOR PRODUCING EPOXY ALCOHOL COMPOUND ERG28, CYP2E1, ADH5 CYP3A4 32/4885CYP2C9 108/4885CYP2C19 282/4885
US-10730861-B2 Process for producing epoxy alcohol compound ERG28, CYP2E1, ADH5 CYP3A4 32/4885CYP2C9 108/4885CYP2C19 282/4885
US-20160355500-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF EFINACONAZOLE CYP2E1, CYP3A4, CYP4B1 CYP3A4 2/4885CYP2C9 41/4885CYP2C19 36/4885

“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.