SCHEMBL6721786

SCHEMBL6721786

CC(CC(=O)O)Oc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
MAOB P27338 1/20 0.42
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
CTSA P10619 1/20 0.42

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
SCHEMBL1418060 0.83 MTNR1A (0.59) ALDH1A1LMNAKMT2AMAPTMTNR1A
SCHEMBL31053102 0.82 MTNR1B (0.61) LMNAMTNR1AMTNR1BCYP1A2
SCHEMBL29986418 0.81 KDM4E (0.48) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL30608685 0.81 KDM4E (0.48) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL20534991 0.81 KDM4E (0.48) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL25330745 0.81 KDM4E (0.48) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL25330748 0.81 KDM4E (0.48) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL10958161 0.81 LDHA (0.55) KDM4EALDH1A1LMNASMN1; SMN2FNTA
SCHEMBL5830779 0.81 HSD17B10 (0.47) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL9818797 0.81 PPARG (0.52) KMT2AMRGPRX4MTNR1AMTNR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HSD17B10 3472/4885KDM4E 1058/4885ALDH1A1 1071/4885

“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.