SCHEMBL18509898

SCHEMBL18509898

C=C(C)COc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
KMT2A Q03164 9/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 7/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 7/20 0.38
LMNA P02545 5/20 0.38
NPSR1 Q6W5P4 5/20 0.38
HTT P42858 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
ALOX12 P18054 1/20 0.37
POLB P06746 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 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
SCHEMBL21165409 0.92 GPR174 (0.40) ELANEGPR174KMT2AMAPTMAPK1
SCHEMBL9607858 0.89 ELANE (0.51) ELANEKMT2AATMMAPTKDM4E
SCHEMBL21655391 0.88 KMT2A (0.40) ELANEGPR174KMT2AATMMAPT
SCHEMBL22001782 0.87 ELANE (0.50) ELANEGPR174KMT2AATMMAPT
SCHEMBL19882306 0.87 ELANE (0.50) ELANEGPR174KMT2AATMMAPT
SCHEMBL17546961 0.87 ELANE (0.50) ELANEGPR174KMT2AATMMAPT
SCHEMBL20112832 0.87 MAPT (0.42) ELANEGPR174KMT2AATMMAPT
SCHEMBL22023572 0.87 GPR174 (0.40) ELANEGPR174KMT2AATMMAPT
SCHEMBL18509891 0.86 GPR174 (0.40) ELANEGPR174KMT2AATMMAPT
SCHEMBL20312224 0.84 ELANE (0.43) ELANEGPR174KMT2AATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550327-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2020-02-04 US disclosed
US-10400169-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
EP-3260518-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-12-27 EP disclosed
EP-3257916-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-12-20 EP disclosed
US-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 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 (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-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 ELANE 3896/4885GPR174 3472/4885KMT2A 2248/4885
US-10400169-B2 Liquid-crystalline medium VIM, COL2A1, COL1A1 ELANE 3896/4885GPR174 3472/4885KMT2A 2248/4885

“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.