SCHEMBL18178761

SCHEMBL18178761

CCOc1cccc(OC(=O)CC)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
ACHE P22303 3/20 0.40
SLC22A12 Q96S37 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL18182269 0.91 MRGPRX4 (0.38) MAPTRAB9ANPSR1MRGPRX4ACHE
SCHEMBL18178585 0.90 MRGPRX4 (0.43) MAPTMRGPRX4ACHESLC22A12TAS1R3
SCHEMBL18530986 0.90 MAPT (0.38) MAPTRAB9ANPSR1MRGPRX4ACHE
SCHEMBL18178770 0.90 MRGPRX4 (0.39) MAPTRAB9ANPSR1MRGPRX4ACHE
SCHEMBL18178747 0.90 SLC22A12 (0.47) MAPTRAB9ANPSR1MRGPRX4ACHE
SCHEMBL18178755 0.89 MRGPRX4 (0.38) MAPTMRGPRX4ACHESLC22A12ALDH1A1
SCHEMBL18178746 0.89 PTGS1 (0.39) MAPTMRGPRX4ACHESLC22A12ALDH1A1
SCHEMBL18178730 0.89 MRGPRX4 (0.38) MAPTRAB9AMRGPRX4ACHEALDH1A1
SCHEMBL18178383 0.89 MAPT (0.43) MAPTRAB9ANPSR1MRGPRX4SLC22A12
SCHEMBL18178996 0.88 PTPN1 (0.43) MAPTRAB9ANPSR1MRGPRX4ACHE

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 MAPT 4572/4885RAB9A 1136/4885NPSR1 930/4885

“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.