SCHEMBL18514952

SCHEMBL18514952

CCC(=O)N(CC)c1cccc(OC)c1COc1ccc(CC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ APP P05067 1/20 0.39
▸ FFAR4 Q5NUL3 5/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ FFAR2 O15552 1/20 0.36

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
SCHEMBL18514987 0.93 FFAR4 (0.39) ALDH1A1HSD17B10FFAR4PPARAFFAR1
SCHEMBL18514935 0.90 SLC22A12 (0.43) ALDH1A1HSD17B10KMT2AMEN1FFAR4
SCHEMBL18515009 0.89 CD274 (0.41) ALDH1A1HSD17B10FFAR4FFAR1MRGPRX4
SCHEMBL18515523 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10KMT2AAPPFFAR4
SCHEMBL18514360 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10APPFFAR4TAS1R3
SCHEMBL18515106 0.88 KMT2A (0.38) ALDH1A1HSD17B10KMT2AMEN1APP
SCHEMBL18515133 0.88 TAS1R3 (0.39) ALDH1A1HSD17B10KMT2AMEN1APP
SCHEMBL18514951 0.88 FFAR4 (0.43) ALDH1A1HSD17B10FFAR4PPARAFFAR1
SCHEMBL18514934 0.88 FFAR4 (0.38) ALDH1A1HSD17B10APPFFAR4PPARA
SCHEMBL18514950 0.88 FFAR4 (0.43) ALDH1A1HSD17B10KMT2AMEN1FFAR4

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 ALDH1A1 1238/4885HSD17B10 2214/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885HSD17B10 929/4885KMT2A 1447/4885

“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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