SCHEMBL21004635

SCHEMBL21004635

C=C(C)C(=O)Oc1ccc(-c2ccc(OC)cc2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SRD5A2 P31213 1/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20842583 0.95 BACE1 (0.48) BACE1SMN1; SMN2ELANEKDM4ECYP1A2
SCHEMBL17547350 0.93 ELANE (0.47) BACE1SMN1; SMN2ELANEKDM4ECYP1A2
SCHEMBL20827844 0.92 BACE1 (0.46) BACE1SMN1; SMN2ELANEKDM4ECYP1A2
SCHEMBL17309196 0.92 ELANE (0.46) BACE1SMN1; SMN2ELANESRD5A2KMT2A
SCHEMBL18258061 0.89 ELANE (0.46) BACE1ELANESRD5A2KMT2AATM
SCHEMBL19623183 0.87 KMT2A (0.42) SMN1; SMN2ELANEKDM4ESRD5A2KMT2A
SCHEMBL21417636 0.86 ELANE (0.47) BACE1ELANESRD5A2KMT2AATM
SCHEMBL22459780 0.86 SRD5A2 (0.40) BACE1SMN1; SMN2ELANEKDM4ECYP1A2
SCHEMBL18808111 0.86 SRD5A2 (0.41) BACE1SMN1; SMN2ELANESRD5A2KMT2A
SCHEMBL21589326 0.85 ELANE (0.43) BACE1SMN1; SMN2ELANEKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924447-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2024-01-24 EP disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
EP-3933009-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-08-16 EP disclosed
EP-3870671-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-08-09 EP disclosed
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed
EP-3755764-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2023-05-10 EP disclosed
EP-3933009-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-01-05 EP disclosed
EP-3666853-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-06-16 EP disclosed
EP-3688118-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3587536-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-03-24 EP disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed
EP-3333243-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed