SCHEMBL18748784

SCHEMBL18748784

COC(=O)Nc1ccccc1COc1ccc(C)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL18749169 0.88 MRGPRX4 (0.48) MRGPRX4HPGDMEN1KMT2ALMNA
SCHEMBL18748850 0.88 RAB9A (0.42) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL18748833 0.87 MAPT (0.48) MRGPRX4HPGDMEN1KMT2ALMNA
SCHEMBL18514522 0.87 HTT (0.44) MRGPRX4HPGDMEN1KMT2ALMNA
SCHEMBL18748895 0.86 MRGPRX4 (0.44) MRGPRX4HPGDMEN1KMT2ALMNA
SCHEMBL18748809 0.86 KMT2A (0.50) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18748773 0.86 MRGPRX4 (0.49) MRGPRX4HPGDMEN1KMT2ALMNA
SCHEMBL18748827 0.85 NPC1 (0.52) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL18748786 0.85 MRGPRX4 (0.50) MRGPRX4HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL18748787 0.85 MRGPRX4 (0.48) MRGPRX4HPGDMEN1KMT2ALMNA

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 959/4885HPGD 4800/4885MEN1 1194/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885HPGD 4398/4885MEN1 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.