SCHEMBL18515564

SCHEMBL18515564

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GALR3 O60755 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ NR1H2 P55055 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
SCHEMBL18749725 0.92 MAPT (0.44) FFAR4SLC22A12ALDH1A1TSHRMAPT
SCHEMBL18515567 0.91 SLC22A12 (0.41) SLC22A12ALDH1A1TSHRMAPTRAB9A
SCHEMBL18515271 0.90 MRGPRX4 (0.37) FFAR4SLC22A12TSHRCD274
SCHEMBL18515554 0.90 FFAR4 (0.35) FFAR4SLC22A12ALDH1A1TSHRMEN1
SCHEMBL18515581 0.90 SLC22A12 (0.45) SLC22A12ALDH1A1MAPTRAB9ANPSR1
SCHEMBL18514424 0.88 FFAR4 (0.39) FFAR4SLC22A12ALDH1A1MAPTRAB9A
SCHEMBL18514405 0.87 FFAR4 (0.49) FFAR4SLC22A12ALDH1A1MAPTRAB9A
SCHEMBL18515570 0.87 TSHR (0.40) SLC22A12ALDH1A1TSHRMAPTRAB9A
SCHEMBL18515565 0.87 SLC22A12 (0.38) SLC22A12ALDH1A1MAPTRAB9ANPSR1
SCHEMBL18515562 0.87 ANO1 (0.41) SLC22A12ALDH1A1TSHRMAPTRAB9A

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 FFAR4 4194/4885SLC22A12 4063/4885ALDH1A1 1238/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 FFAR4 4026/4885SLC22A12 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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