SCHEMBL18515550

SCHEMBL18515550

CCc1cc(F)c(OCc2ccccc2CC(=O)NC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CXCL8 P10145 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL18749695 0.91 MCL1 (0.43) MCL1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL18515563 0.89 PTGDR2 (0.39) MCL1ALDH1A1MAPTCD274MAOB
SCHEMBL18515558 0.88 SLC22A12 (0.36) MCL1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL18515552 0.87 SLC22A12 (0.40) MCL1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL18515553 0.87 LTB4R (0.37) MCL1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL18515551 0.87 MRGPRX4 (0.34) MCL1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL18514083 0.87 RORC (0.38) MCL1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL18515235 0.86 HDAC8 (0.41) CD274HTTMRGPRX4FFAR4TP53
SCHEMBL18515548 0.85 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1MAPK1MAPTLMNA
SCHEMBL18515555 0.85 ALDH1A1 (0.39) MCL1ALDH1A1L3MBTL1MAPK1MAPT

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 MCL1 3315/4885ALDH1A1 1238/4885L3MBTL1 35/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MCL1 3419/4885ALDH1A1 1416/4885L3MBTL1 77/4885

“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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