SCHEMBL18749892

SCHEMBL18749892

CNC(=O)Cc1cccc(F)c1COc1cc(C)c(C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ GUCY1B2 O75343 5/20 0.36
▸ GUCY1A2 P33402 5/20 0.36
▸ GUCY1A1 Q02108 5/20 0.36

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
SCHEMBL18749862 0.93 MAPT (0.44) MRGPRX4MCL1SLC22A12TP53MAPT
SCHEMBL18749627 0.93 SLC22A12 (0.43) MRGPRX4MCL1SLC22A12MAPTLMNA
SCHEMBL18515553 0.92 LTB4R (0.37) MRGPRX4MCL1SLC22A12TP53MAPT
SCHEMBL18749802 0.92 MRGPRX4 (0.38) MRGPRX4MCL1SLC22A12MAPTLMNA
SCHEMBL18749799 0.91 MRGPRX4 (0.37) MRGPRX4MCL1SLC22A12MAPTLMNA
SCHEMBL18749698 0.90 TP53 (0.43) MRGPRX4TP53LMNAALDH1A1RAB9A
SCHEMBL18749848 0.90 TP53 (0.43) TP53LMNAALDH1A1PTGER1RAB9A
SCHEMBL18749796 0.90 MRGPRX4 (0.37) MRGPRX4MCL1SLC22A12MAPTLMNA
SCHEMBL18749624 0.90 MRGPRX4 (0.37) MRGPRX4SLC22A12MAPTALDH1A1MAPK1
SCHEMBL18749975 0.89 ALDH1A1 (0.40) MRGPRX4MCL1SLC22A12TP53MAPT

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 959/4885MCL1 3315/4885SLC22A12 4063/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885MCL1 3419/4885SLC22A12 4001/4885

“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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