SCHEMBL18749802

SCHEMBL18749802

CCc1cccc(CC(=O)NC)c1COc1cc(C)c(C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ CXCL8 P10145 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
SCHEMBL18515558 0.94 SLC22A12 (0.36) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749799 0.92 MRGPRX4 (0.37) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749892 0.92 MRGPRX4 (0.39) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749627 0.92 SLC22A12 (0.43) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749975 0.90 ALDH1A1 (0.40) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749729 0.89 MAPT (0.45) MRGPRX4SLC22A12ALDH1A1MAPTRAB9A
SCHEMBL18515553 0.89 LTB4R (0.37) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749796 0.89 MRGPRX4 (0.37) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1
SCHEMBL18749848 0.89 TP53 (0.43) ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL18515552 0.89 SLC22A12 (0.40) MRGPRX4SLC22A12ALDH1A1MAPK1L3MBTL1

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 959/4885SLC22A12 4063/4885ALDH1A1 1238/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885SLC22A12 4001/4885ALDH1A1 1416/4885

“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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