SCHEMBL18178458

SCHEMBL18178458

CCC(=O)Oc1cccc(C)c1COc1ccc(C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.51
MAPT P10636 6/20 0.45
RAB9A P51151 5/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL18178453 0.92 MRGPRX4 (0.52) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178457 0.89 RAB9A (0.53) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178460 0.89 MRGPRX4 (0.50) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178473 0.89 MRGPRX4 (0.50) MRGPRX4MAPTRAB9AL3MBTL1KDM4E
SCHEMBL18178451 0.88 MRGPRX4 (0.49) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178455 0.88 MRGPRX4 (0.49) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178456 0.88 MRGPRX4 (0.49) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18156409 0.88 SLC22A12 (0.44) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178054 0.88 MRGPRX4 (0.51) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL18178732 0.88 SLC22A12 (0.41) MRGPRX4MAPTRAB9AATMKDM4E

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.