SCHEMBL18509891

SCHEMBL18509891

C=C(C)COc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.40
MAPT P10636 9/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 10/20 0.39
MEN1 O00255 8/20 0.39
LMNA P02545 6/20 0.39
NPSR1 Q6W5P4 6/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 4/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 2/20 0.38
APP P05067 1/20 0.38
ELANE P08246 1/20 0.37
CYP1A2 P05177 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
SCHEMBL22023572 0.99 GPR174 (0.40) GPR174MAPTMAPK1KDM4EKMT2A
SCHEMBL21655391 0.94 KMT2A (0.40) GPR174MAPTMAPK1KDM4EKMT2A
SCHEMBL20112832 0.94 MAPT (0.42) GPR174MAPTMAPK1KDM4EKMT2A
SCHEMBL20112746 0.90 ELANE (0.40) GPR174MAPTMAPK1KDM4EKMT2A
SCHEMBL25934094 0.90 KMT2A (0.39) GPR174MAPTMAPK1KDM4EKMT2A
SCHEMBL9607894 0.88 ELANE (0.47) MAPTKMT2AMEN1LMNAHPGD
SCHEMBL18646588 0.87 FFAR1 (0.40) MAPTMAPK1KDM4EKMT2AMEN1
SCHEMBL9607902 0.87 ELANE (0.48) MAPTKMT2AMEN1LMNAHPGD
SCHEMBL18509898 0.86 ELANE (0.43) GPR174MAPTMAPK1KDM4EKMT2A
SCHEMBL20112831 0.86 MAPT (0.42) MAPTMAPK1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10400169-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-09-03 US 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 GPR174 3472/4885MAPT 737/4885MAPK1 1806/4885
US-10400169-B2 Liquid-crystalline medium VIM, COL2A1, COL1A1 GPR174 3472/4885MAPT 737/4885MAPK1 1806/4885

“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.