SCHEMBL4460787

SCHEMBL4460787

Fc1ccc(C(Cl)(Cl)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.42
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
CYP19A1 P11511 4/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL4462107 0.89 KCNN4 (0.50) KCNN4RAB9AMEN1NPC1HTT
SCHEMBL4476738 0.89 CYP19A1 (0.50) KCNN4RAB9AUSP2CYP19A1MEN1
SCHEMBL11864838 0.87 SMN1; SMN2 (0.41) KCNN4RAB9AUSP2CA1CA2
SCHEMBL11867010 0.87 SMN1; SMN2 (0.50) KCNN4RAB9AUSP2ACHEMEN1
SCHEMBL11871260 0.82 KCNN4 (0.51) KCNN4ACHECYP19A1CYP3A4CYP2D6
SCHEMBL11861140 0.82 TSHR (0.56) RAB9ACYP19A1CYP3A4CYP2D6CYP2C9
SCHEMBL11869841 0.82 ALDH1A1 (0.42) KCNN4CYP19A1MAPK1
SCHEMBL11861313 0.82 NFE2L2 (0.53) RAB9ACA1CA2CA7CA9
SCHEMBL11868417 0.82 KDM4E (0.48) CA2CA9CYP19A1
SCHEMBL3158793 0.81 TSHR (0.50) KCNN4RAB9AUSP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292264-A1 Process for Manufacture of Fluorinated Benzenes and Fluorinated Benzophenones, and Derivatives Thereof FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2021-09-23 US disclosed
US-11008273-B2 Process for the manufacture of fluorinated benzenes and fluorinated benzophenones, and derivatives thereof FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2021-05-18 US disclosed
WO-2020164291-A1 NEW PROCESS FOR MANUFACTURE OF FLUORINATED BENZENES AND FLUORINATED BENZOPHENONES, AND DERIVATIVES THEREOF FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2020-08-20 WO disclosed
US-20200262776-A1 New Process for the Manufacture of Fluorinated Benzenes and Fluorinated Benzophenones, and Derivatives Thereof FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2020-08-20 US disclosed
US-20200262775-A1 Process for Friedel-Crafts Reaction, and Catalyst Therefore FUJIAN YONGJING TECHNOLOGY CO., LTD. (CN) 2020-08-20 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7427688-B2 Production method of optically active diphenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-09-23 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-7321055-B2 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20070032658-A1 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2007-02-08 US disclosed
EP-1724253-A2 Production method of optically active diphenylalanine compounds Ajinomoto Co., Inc. (JP) 2006-11-22 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed
EP-0096008-B1 (+)-CYANIDAN-3-OL DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SUCH COMPOUNDS, AND THE USE OF THE LATTER Zyma SA (CH) 1989-03-29 EP disclosed
US-4510159-A (+)-Cyanidan-3-ol derivatives, pharmaceutical preparations that contain such compounds, and the use of the latter to treat liver or venous diseases ZYMA SA (CH) 1985-04-09 US disclosed
EP-0096008-A2 (+)-Cyanidan-3-ol derivatives, processes for their manufacture, pharmaceutical preparations that contain such compounds, and the use of the latter Zyma SA (CH) 1983-12-07 EP disclosed
US-3985766-A ANTIMYCOTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US 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 (7 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-11008273-B2 Process for the manufacture of fluorinated benzenes and fluorinated benzophenones, and derivatives thereof PFAS, PFKFB4, PFKFB2 KCNN4 2364/4885RAB9A 1980/4885USP2 2389/4885
US-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 KCNN4 1843/4885RAB9A 2171/4885USP2 2511/4885
US-20200262776-A1 New Process for the Manufacture of Fluorinated Benzenes and Fluorinated Benzophenones, and Derivatives Thereof PFAS, PFKFB4, PFKFB1 KCNN4 2603/4885RAB9A 1869/4885USP2 2219/4885
US-20210292264-A1 Process for Manufacture of Fluorinated Benzenes and Fluorinated Benzophenones, and Derivatives Thereof PFAS, PFKFB4, PFKFB2 KCNN4 2601/4885RAB9A 2013/4885USP2 2416/4885
US-20070032658-A1 Production method of optically active dephenylalanine compounds TYR, PAH, DDC KCNN4 2745/4885RAB9A 1585/4885USP2 3037/4885
US-20200262775-A1 Process for Friedel-Crafts Reaction, and Catalyst Therefore HNF4A, TFEB, HACL2 KCNN4 2997/4885RAB9A 2823/4885USP2 2631/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 KCNN4 1690/4885RAB9A 2321/4885USP2 2997/4885

“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.