SCHEMBL18178062

SCHEMBL18178062

CCOc1cccc(OC(=O)OC)c1COc1ccc(C)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ATM Q13315 1/20 0.52
MRGPRX4 Q96LA9 6/20 0.49
RORC P51449 1/20 0.46
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MITF O75030 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL18178457 0.90 RAB9A (0.53) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18178044 0.90 MRGPRX4 (0.52) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18178066 0.89 MRGPRX4 (0.49) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18178071 0.88 MRGPRX4 (0.47) RAB9AMAPTL3MBTL1MRGPRX4NPC1
SCHEMBL18178054 0.88 MRGPRX4 (0.51) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18156202 0.88 RORC (0.45) RAB9AMAPTMRGPRX4RORCNPC1
SCHEMBL18178109 0.87 L3MBTL1 (0.41) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18178361 0.87 RORC (0.41) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18178119 0.86 MRGPRX4 (0.49) RAB9AMAPTL3MBTL1ATMMRGPRX4
SCHEMBL18178047 0.86 MRGPRX4 (0.49) RAB9AMAPTL3MBTL1ATMMRGPRX4

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 RAB9A 1136/4885MAPT 4572/4885L3MBTL1 401/4885

“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.