SCHEMBL18749552

SCHEMBL18749552

CNC(=O)Cc1cccc(I)c1COc1ccc(C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.47
▸ PTGS2 P35354 1/20 0.41
▸ FFAR1 O14842 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ LTB4R Q15722 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL18749777 0.90 MRGPRX4 (0.50) MRGPRX4FFAR1LMNAMAPTCD274
SCHEMBL18749814 0.89 MRGPRX4 (0.49) MRGPRX4FFAR1LMNAMAPTCD274
SCHEMBL18749558 0.89 MRGPRX4 (0.49) MRGPRX4FFAR1LMNAMAPTCD274
SCHEMBL18749766 0.89 MRGPRX4 (0.46) MRGPRX4LMNAMAPTALDH1A1MAPK1
SCHEMBL18749833 0.88 PTGER1 (0.39) MRGPRX4PTGS2MAPTL3MBTL1LTB4R
SCHEMBL18749689 0.88 MRGPRX4 (0.48) MRGPRX4FFAR1LMNAMAPTCD274
SCHEMBL18749796 0.88 MRGPRX4 (0.37) MRGPRX4PTGS2LMNAMAPTCD274
SCHEMBL18749430 0.88 MRGPRX4 (0.48) MRGPRX4PTGS2FFAR1LMNAMAPT
SCHEMBL18515140 0.87 CD274 (0.40) MRGPRX4LMNACD274ALDH1A1MAPK1
SCHEMBL18749817 0.87 MRGPRX4 (0.47) MRGPRX4FFAR1MAPTCD274ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 — — US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 — — US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — 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 (2 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 MRGPRX4 959/4885PTGS2 4781/4885FFAR1 3450/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885PTGS2 3985/4885FFAR1 3287/4885

“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.

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