SCHEMBL20150592

SCHEMBL20150592

CC=CCOc1ccc(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
ACHE P22303 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
FFAR1 O14842 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
NFE2L2 Q16236 1/20 0.33
AKR1C3 P42330 1/20 0.33
KDM1A O60341 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL20150593 0.85 MRGPRX4 (0.42) MRGPRX4ACHETAAR1ALDH1A1MAPT
SCHEMBL20150589 0.81 HTR2C (0.43) MRGPRX4ALDH1A1MAPTHTR1ASLC6A4
SCHEMBL2558403 0.77 AKR1C3 (0.37) ACHEALDH1A1MAPTAKR1C3POLB
SCHEMBL2558400 0.77 AKR1C3 (0.37) ACHEALDH1A1MAPTAKR1C3POLB
SCHEMBL20084267 0.77 L3MBTL1 (0.49) ALDH1A1MAPTMAPK1L3MBTL1NFE2L2
SCHEMBL130839 0.76 KDM1A (0.51) MRGPRX4ACHEALDH1A1MAPTMAPK1
SCHEMBL13905218 0.76 MRGPRX4 (0.48) MRGPRX4ACHEALDH1A1MAPTFFAR1
SCHEMBL16852392 0.75 FFAR4 (0.35) FFAR1TUBB1
SCHEMBL8222546 0.74 MAPT (0.44) ALDH1A1MAPTMAPK1L3MBTL1POLB
SCHEMBL20121313 0.74 AKR1C3 (0.32) MRGPRX4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134960-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-05-17 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 (1 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-20180134960-A1 LIQUID-CRYSTAL MEDIUM FES, POF1B, FOXO3 MRGPRX4 4860/4885ACHE 3829/4885TAAR1 3179/4885

“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.