SCHEMBL18178469

SCHEMBL18178469

CCC(=O)Oc1cccc(I)c1COc1ccc(C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 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
SCHEMBL18178468 0.90 TDP1 (0.46) TDP1HPGDMAPTL3MBTL1ABL1
SCHEMBL18178068 0.89 L3MBTL1 (0.44) TDP1HPGDMAPTL3MBTL1ABL1
SCHEMBL18178462 0.88 HPGD (0.45) TDP1HPGDMAPTL3MBTL1ABL1
SCHEMBL18178476 0.88 MRGPRX4 (0.47) TDP1HPGDMAPTL3MBTL1LMNA
SCHEMBL18183017 0.88 CYP1A2 (0.43) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18178733 0.87 ACHE (0.37) HPGDMAPTL3MBTL1LMNAMAPK1
SCHEMBL18178490 0.87 KDM4E (0.38) TDP1HPGDMAPTL3MBTL1LMNA
SCHEMBL18178464 0.87 HPGD (0.44) TDP1HPGDMAPTL3MBTL1ABL1
SCHEMBL18178471 0.87 MAPT (0.53) TDP1HPGDMAPTL3MBTL1ABL1
SCHEMBL18178466 0.86 HPGD (0.43) TDP1HPGDMAPTL3MBTL1ABL1

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 TDP1 4160/4885HPGD 4638/4885MAPT 4572/4885

“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.