SCHEMBL4152272

SCHEMBL4152272

CCOC(=O)C1(F)CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.42
CYP3A4 P08684 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.36
OPRM1 P35372 4/20 0.35
F10 P00742 1/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7928918 0.95 CYP2C19 (0.39) CYP2C19CYP3A4MEN1KMT2ACYP2D6
SCHEMBL2728151 0.93 ALDH1A1 (0.38) CYP2C19CYP3A4MEN1KMT2ACYP2D6
SCHEMBL19841985 0.84 OPRM1 (0.46) CYP2C19CYP3A4OPRM1OPRD1OPRK1
SCHEMBL16925425 0.81 OPRM1 (0.47) CYP2C19CYP3A4MEN1KMT2APOLB
SCHEMBL9583303 0.80 TSHR (0.39) CYP2C19CYP3A4MEN1KMT2ACYP2D6
SCHEMBL16925439 0.80 OPRM1 (0.40) CYP2C19CYP3A4MEN1KMT2APOLB
SCHEMBL16925440 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27123245 0.78 CYP2C19 (0.39) CYP2C19CYP3A4MEN1KMT2ACYP2D6
SCHEMBL1971303 0.77 OPRM1 (0.38) CYP2C19CYP3A4MEN1KMT2ACYP2D6
SCHEMBL19842011 0.77 OPRM1 (0.40) MEN1KMT2AOPRM1OPRD1OPRK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2023-10-24 US disclosed
US-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2023-10-24 US disclosed
US-20220135516-A1 Process of Fluorinating Inorganic Compounds by Direct Fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2022-05-05 US disclosed
WO-2021031432-A1 PROCESS OF FLUORINATING INORGANIC OR ORGANIC COMPOUNDS BY DIRECT FLUORINATION FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2021-02-25 WO disclosed
US-20210053911-A1 Process of Fluorinating Inorganic or Organic Compounds by Direct Fluorination FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2021-02-25 US disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
US-20050075501-A1 Ammonium compounds bearing and electrophilic fluorine, reagent containing same, method using same and synthesis method for obtaining them RHODIA CHIMIE (FR) 2005-04-07 US disclosed
EP-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
US-5614626-A 1,2,3-Oxathiazin-4(3F)-one 2,2-dioxides, a process for their preparation and their use as electrophilic fluorinating agents HOECHST AG (DE) 1997-03-25 US disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 EP disclosed
US-5003074-A N-fluorinated sulfonamides CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
EP-0311086-A1 N-fluorinated sulfon amides, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-04-12 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 (5 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-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination AFF2, CYP4F2, AFF1 CYP2C19 59/4885CYP3A4 22/4885MEN1 1377/4885
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 CYP2C19 337/4885CYP3A4 889/4885MEN1 2161/4885
US-20210053911-A1 Process of Fluorinating Inorganic or Organic Compounds by Direct Fluorination CYP4F2, AFF2, CYP4F3 CYP2C19 57/4885CYP3A4 18/4885MEN1 1888/4885
US-20220135516-A1 Process of Fluorinating Inorganic Compounds by Direct Fluorination AFF2, CYP4F2, AFF1 CYP2C19 59/4885CYP3A4 22/4885MEN1 1377/4885
US-20050075501-A1 Ammonium compounds bearing and electrophilic fluorine, reagent containing same, method using same and synthesis method for obtaining them ARF5, AFF2, ARFGEF1 CYP2C19 1409/4885CYP3A4 1055/4885MEN1 687/4885

“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.