SCHEMBL18748847

SCHEMBL18748847

COC(=O)Nc1cccc(F)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
DHODH Q02127 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
SCN9A Q15858 1/20 0.39
KMT2A Q03164 3/20 0.39
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL18514787 0.91 ALDH1A1 (0.43) ALDH1A1POLBKDM4EGAADHODH
SCHEMBL18748852 0.91 ALDH1A1 (0.44) ALDH1A1KDM4EGAARAB9ANPC1
SCHEMBL18748936 0.90 RAB9A (0.42) ALDH1A1POLBKDM4ELMNARAB9A
SCHEMBL18748834 0.90 RAB9A (0.44) ALDH1A1POLBKDM4EGAALMNA
SCHEMBL18748854 0.90 ALDH1A1 (0.48) ALDH1A1POLBKDM4EGAARAB9A
SCHEMBL18748775 0.89 MRGPRX4 (0.49) ALDH1A1POLBKDM4EGAADHODH
SCHEMBL18748922 0.89 KDM4E (0.41) ALDH1A1KDM4EGAALMNARAB9A
SCHEMBL18749125 0.88 ALDH1A1 (0.50) ALDH1A1POLBKDM4EGAADHODH
SCHEMBL18749012 0.86 RAB9A (0.40) ALDH1A1POLBKDM4ELMNARAB9A
SCHEMBL18748927 0.86 ALDH1A1 (0.40) ALDH1A1POLBKDM4EGAADHODH

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 ALDH1A1 1238/4885POLB 4673/4885KDM4E 619/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885POLB 4487/4885KDM4E 1043/4885

“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.