SCHEMBL18749689

SCHEMBL18749689

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.48
▸ CD274 Q9NZQ7 1/20 0.39
▸ FFAR1 O14842 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18749814 0.92 MRGPRX4 (0.49) MRGPRX4CD274FFAR1LMNAMAPT
SCHEMBL18749777 0.91 MRGPRX4 (0.50) MRGPRX4CD274FFAR1LMNAMAPT
SCHEMBL18749558 0.90 MRGPRX4 (0.49) MRGPRX4CD274FFAR1LMNAMAPT
SCHEMBL18749827 0.89 MRGPRX4 (0.46) MRGPRX4CD274LMNAMAPTALDH1A1
SCHEMBL18749555 0.88 MRGPRX4 (0.47) MRGPRX4FFAR1LMNAALDH1A1SMN1; SMN2
SCHEMBL18749809 0.88 MRGPRX4 (0.47) MRGPRX4CD274FFAR1LMNAMAPT
SCHEMBL18749552 0.88 MRGPRX4 (0.47) MRGPRX4CD274FFAR1LMNAMAPT
SCHEMBL18749663 0.88 MRGPRX4 (0.49) MRGPRX4CD274FFAR1LMNAMAPT
SCHEMBL18749831 0.88 PTGER1 (0.39) MRGPRX4LMNAMAPTALDH1A1L3MBTL1
SCHEMBL18749799 0.88 MRGPRX4 (0.37) MRGPRX4CD274LMNAMAPTALDH1A1

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-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
US-20170105413-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 959/4885CD274 2684/4885FFAR1 3450/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885CD274 2976/4885FFAR1 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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