SCHEMBL18749627

SCHEMBL18749627

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ SGMS2 Q8NHU3 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL18749892 0.93 MRGPRX4 (0.39) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18515552 0.92 SLC22A12 (0.40) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18749802 0.92 MRGPRX4 (0.38) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18749799 0.91 MRGPRX4 (0.37) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18749848 0.90 TP53 (0.43) ALDH1A1RAB9ASMN1; SMN2LMNAPTGER1
SCHEMBL18749796 0.90 MRGPRX4 (0.37) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18749624 0.90 MRGPRX4 (0.37) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18749703 0.89 SLC22A12 (0.48) SLC22A12ALDH1A1MRGPRX4MAPTRAB9A
SCHEMBL18749975 0.89 ALDH1A1 (0.40) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4
SCHEMBL18749558 0.88 MRGPRX4 (0.49) SLC22A12ALDH1A1MAPK1L3MBTL1MRGPRX4

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 SLC22A12 4063/4885ALDH1A1 1238/4885MAPK1 1105/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 SLC22A12 4001/4885ALDH1A1 1416/4885MAPK1 852/4885

“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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