SCHEMBL18178750

SCHEMBL18178750

CCC(=O)Oc1cccc(Cl)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18530982 0.94 MAPT (0.40) MRGPRX4MAPTNPSR1ACHEALDH1A1
SCHEMBL18178719 0.93 KMT2A (0.41) MRGPRX4RAB9AACHEKMT2AALDH1A1
SCHEMBL18182862 0.92 PTGER1 (0.38) MRGPRX4MAPTACHEKMT2AALDH1A1
SCHEMBL18178576 0.91 MRGPRX4 (0.42) MRGPRX4MAPTRAB9AKMT2AALDH1A1
SCHEMBL18178759 0.90 PTGER1 (0.39) MRGPRX4RAB9AACHEKMT2AALDH1A1
SCHEMBL18178716 0.89 ALDH1A1 (0.40) MRGPRX4MAPTRAB9AACHEKMT2A
SCHEMBL18532840 0.89 MAPT (0.38) MRGPRX4MAPTACHESLC22A12NR1H4
SCHEMBL18178729 0.89 MRGPRX4 (0.38) MRGPRX4RAB9AACHEKMT2AALDH1A1
SCHEMBL18178747 0.88 SLC22A12 (0.47) MRGPRX4MAPTRAB9ANPSR1ACHE
SCHEMBL18178479 0.88 MRGPRX4 (0.47) MRGPRX4MAPTRAB9ANPSR1ALDH1A1

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 MRGPRX4 167/4885MAPT 4572/4885RAB9A 1136/4885

“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.