SCHEMBL1507033

SCHEMBL1507033

CC(C)(O)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
CYP3A4 P08684 3/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
CYP51A1 Q16850 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
CA3 P07451 1/20 0.39

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
SCHEMBL29727285 1.00 KCNN4 (0.43) KCNN4CYP3A4LMNAHSP90AA1CYP19A1
SCHEMBL14398864 0.86 KCNN4 (0.43) KCNN4CYP3A4LMNAHSP90AA1CYP19A1
SCHEMBL18802727 0.84 MEN1 (0.42) KCNN4CYP3A4LMNAHSP90AA1CYP19A1
SCHEMBL441530 0.81 ALDH1A1 (0.42) KCNN4CYP3A4LMNAHSP90AA1CYP19A1
SCHEMBL22933206 0.81 KCNN4 (0.46) KCNN4CYP3A4LMNAHSP90AA1CYP19A1
SCHEMBL11962356 0.80 KIF11 (0.41) CYP11B1CYP11B2ALDH1A1PTGS1PTGS2
SCHEMBL1328840 0.80 DGAT1 (0.42) LMNACYP11B1CYP11B2KMT2AALDH1A1
SCHEMBL21782467 0.80 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL18701599 0.80 PTGS1 (0.42) LMNACYP2C9MEN1KMT2ACA3
SCHEMBL8696180 0.79 CYP3A4 (0.42) KCNN4CYP3A4LMNAHSP90AA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671737-B Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2023-10-24 CN claimed
CN-114671737-A Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2022-06-28 CN claimed
CN-114671737-B Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2023-10-24 CN disclosed
CN-114671737-A Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2022-06-28 CN disclosed
CN-114671737-A Preparation method of posaconazole main ring intermediate 张家口市格瑞高新技术有限公司 2022-06-28 CN disclosed
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
US-8691804-B2 Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-04-08 US disclosed
US-8691804-B2 Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-04-08 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
EP-2300422-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-03-30 EP disclosed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 WO disclosed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 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 (2 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-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 KCNN4 675/4885CYP3A4 530/4885LMNA 4520/4885
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC KCNN4 3969/4885CYP3A4 350/4885LMNA 4351/4885

“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.