SCHEMBL18748899

SCHEMBL18748899

CCOc1cccc(NC(=S)OC)c1COc1ccc(C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
PKM P14618 2/20 0.41
MRGPRX1 Q96LB2 4/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNMA1 Q12791 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 2/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL18749090 0.89 MRGPRX4 (0.40) ALDH1A1MRGPRX4MRGPRX1POLBMAPT
SCHEMBL18748969 0.89 MRGPRX4 (0.46) ALDH1A1MRGPRX4MAPTNPC1KMT2A
SCHEMBL18514931 0.88 ALDH1A1 (0.43) ALDH1A1PKMPOLBNPC1KMT2A
SCHEMBL18748977 0.88 ALDH1A1 (0.44) ALDH1A1PKMPOLBMAPTNPC1
SCHEMBL18748776 0.88 MRGPRX4 (0.48) ALDH1A1MRGPRX4PKMMRGPRX1POLB
SCHEMBL18748871 0.88 MRGPRX4 (0.45) ALDH1A1MRGPRX4POLBMAPTKMT2A
SCHEMBL18748912 0.87 TP53 (0.38) ALDH1A1PKMMRGPRX1POLBMAPT
SCHEMBL18749051 0.87 KCNMA1 (0.39) ALDH1A1MRGPRX1POLBMAPTCYP1A2
SCHEMBL18749046 0.87 MAPT (0.50) ALDH1A1MRGPRX4POLBMAPTCYP1A2
SCHEMBL18749087 0.87 MAPT (0.50) ALDH1A1POLBMAPTCYP1A2CYP3A4

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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105416-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 ALDH1A1 1238/4885MRGPRX4 959/4885PKM 1994/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885MRGPRX4 778/4885PKM 3037/4885

“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.