SCHEMBL18515565

SCHEMBL18515565

CCc1cc(C)c(OCc2c(I)cccc2CC(=O)NC)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ESR1 P03372 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MRGPRX4 Q96LA9 3/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL18749896 0.92 MAPT (0.44) SLC22A12MAPTRAB9ANPSR1BCHE
SCHEMBL18515567 0.91 SLC22A12 (0.41) SLC22A12MAPTRAB9ANPSR1ESR1
SCHEMBL18515551 0.90 MRGPRX4 (0.34) SLC22A12MAPTMRGPRX4PPARAALDH1A1
SCHEMBL18515238 0.90 MRGPRX4 (0.37) SLC22A12MRGPRX4ANO1CD274
SCHEMBL18515581 0.90 SLC22A12 (0.45) SLC22A12MAPTRAB9ANPSR1ESR1
SCHEMBL18514404 0.88 SLC22A12 (0.39) SLC22A12MAPTRAB9ANPSR1MRGPRX4
SCHEMBL18514408 0.87 PPARA (0.42) SLC22A12PPARACD274
SCHEMBL18515564 0.87 FFAR4 (0.39) SLC22A12MAPTRAB9ANPSR1ESR1
SCHEMBL18515562 0.87 ANO1 (0.41) SLC22A12MAPTRAB9ANPSR1ANO1
SCHEMBL18515570 0.87 TSHR (0.40) SLC22A12MAPTRAB9ANPSR1MRGPRX4

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-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
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 — — EP 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 4063/4885MAPT 3329/4885RAB9A 143/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 SLC22A12 4001/4885MAPT 2998/4885RAB9A 338/4885

“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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