SCHEMBL20150593

SCHEMBL20150593

CCC=CCOc1ccc(C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
KDM1A O60341 2/20 0.35
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL20150592 0.85 MRGPRX4 (0.43) MRGPRX4MAPTALDH1A1POLBKDM1A
SCHEMBL20150589 0.79 HTR2C (0.43) MRGPRX4MAPTALDH1A1HTR1ASLC6A4
SCHEMBL130839 0.78 KDM1A (0.51) MRGPRX4MAPTALDH1A1POLBKDM1A
SCHEMBL13640225 0.78 ALDH1A1 (0.36) MAPTALDH1A1POLBGPR55SLC6A2
SCHEMBL16852388 0.76 FFAR4 (0.35) FFAR1TUBB1
SCHEMBL26769804 0.75 L3MBTL1 (0.37) MAPTALDH1A1POLBKDM1ATUBB1
SCHEMBL14293809 0.75 MAPT (0.50) MRGPRX4MAPTALDH1A1POLBGPR55
SCHEMBL14211802 0.75 CTSL (0.31) MRGPRX4RAB9A
SCHEMBL26796924 0.75 CTSL (0.31) MRGPRX4RAB9A
SCHEMBL13905218 0.74 MRGPRX4 (0.48) MRGPRX4MAPTALDH1A1POLBKDM1A

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 4860/4885MAPT 616/4885ALDH1A1 2769/4885

“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.