SCHEMBL18748871

SCHEMBL18748871

COC(=S)Nc1cccc(C)c1COc1ccc(C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL18748969 0.92 MRGPRX4 (0.46) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748908 0.89 MRGPRX4 (0.43) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748893 0.89 MRGPRX4 (0.43) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18749039 0.89 MRGPRX4 (0.43) MRGPRX4KMT2AALDH1A1SMN1; SMN2FFAR1
SCHEMBL18748888 0.89 MRGPRX4 (0.43) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748777 0.88 MRGPRX4 (0.52) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748921 0.88 SLC22A12 (0.36) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748873 0.88 MRGPRX4 (0.42) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748897 0.88 MRGPRX4 (0.45) MRGPRX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18748899 0.88 ALDH1A1 (0.44) MRGPRX4KMT2AMEN1ALDH1A1LMNA

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-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

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 MRGPRX4 959/4885KMT2A 705/4885MEN1 1194/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885KMT2A 1447/4885MEN1 2823/4885

“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.