SCHEMBL18748852

SCHEMBL18748852

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
GAA P10253 1/20 0.41
FGFR4 P22455 3/20 0.40
TRPM4 Q8TD43 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
FGFR1 P11362 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
SCHEMBL18748854 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18748847 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL18748922 0.91 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18514784 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18748926 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18748849 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18748859 0.90 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18748924 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL18748778 0.89 MRGPRX4 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL18748836 0.88 MAPT (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2SLC22A12

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 1238/4885KDM4E 619/4885HPGD 4800/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885KDM4E 1043/4885HPGD 4398/4885

“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.