SCHEMBL18749655

SCHEMBL18749655

CNC(=O)Cc1cccc(CO)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CD274 Q9NZQ7 6/20 0.36
▸ ANO1 Q5XXA6 1/20 0.35
▸ MRGPRX4 Q96LA9 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 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
SCHEMBL18749729 0.91 MAPT (0.45) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749703 0.90 SLC22A12 (0.48) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749701 0.90 MRGPRX4 (0.38) MAPTRAB9ANPSR1SLC22A12CD274
SCHEMBL18749799 0.90 MRGPRX4 (0.37) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749827 0.88 MRGPRX4 (0.46) MAPTRAB9AALDH1A1CD274MRGPRX4
SCHEMBL18749725 0.87 MAPT (0.44) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749896 0.87 MAPT (0.44) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749653 0.87 MAPT (0.44) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749862 0.87 MAPT (0.44) MAPTRAB9ANPSR1SLC22A12ALDH1A1
SCHEMBL18749774 0.86 MAPT (0.43) MAPTRAB9ANPSR1SLC22A12ALDH1A1

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 MAPT 3329/4885RAB9A 143/4885NPSR1 1960/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MAPT 2998/4885RAB9A 338/4885NPSR1 2148/4885

“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.

Send feedback