SCHEMBL18178499

SCHEMBL18178499

CCC(=O)Oc1cccc(Br)c1COc1ccc(C)cc1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
HPGD P15428 6/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18178130 0.89 MAPT (0.36) MAPTHPGDL3MBTL1TDP1ABL1
SCHEMBL18178500 0.89 SLC22A12 (0.39) MAPTHPGDL3MBTL1TDP1MRGPRX4
SCHEMBL18178508 0.89 MRGPRX4 (0.37) MAPTHPGDL3MBTL1TDP1MRGPRX4
SCHEMBL18182571 0.88 ALOX15 (0.38) MAPTHPGDMRGPRX4NPC1RAB9A
SCHEMBL18178772 0.88 ACHE (0.36) MAPTHPGDMRGPRX4NPC1RAB9A
SCHEMBL18178505 0.88 KDM4E (0.37) MAPTHPGDL3MBTL1TDP1MRGPRX4
SCHEMBL18178503 0.88 MRGPRX4 (0.41) MAPTMRGPRX4
SCHEMBL18178468 0.88 TDP1 (0.46) MAPTHPGDL3MBTL1TDP1ABL1
SCHEMBL18178502 0.87 MRGPRX4 (0.35) MAPTHPGDL3MBTL1TDP1MRGPRX4
SCHEMBL18178504 0.87 MRGPRX4 (0.40) MAPTL3MBTL1MRGPRX4RAB9AALDH1A1

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 4572/4885HPGD 4638/4885L3MBTL1 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.