SCHEMBL5943019

SCHEMBL5943019

CCCCCc1ccc(Oc2ccc(Br)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ACACB O00763 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL31579716 0.83 KDM4E (0.53) RAB9AL3MBTL1SMN1; SMN2NPC1ACACB
SCHEMBL18798976 0.81 THRB (0.50) RAB9AL3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL1478065 0.81 OPRM1 (0.42) RAB9ANPC1ACACBKDM4ETHRB
SCHEMBL28023084 0.79 L3MBTL1 (0.49) RAB9AL3MBTL1MAPTCASP3SENP8
SCHEMBL16216735 0.79 KDM4E (0.50) RAB9AL3MBTL1MAPTCASP3SENP8
SCHEMBL10327285 0.79 L3MBTL1 (0.50) RAB9AL3MBTL1MAPTCASP3SENP8
SCHEMBL21656510 0.79 GRM2 (0.56) RAB9AMAPTSMN1; SMN2NPC1NFKB1
SCHEMBL25355807 0.79 THRB (0.42) RAB9AL3MBTL1NPC1ACACBMEN1
SCHEMBL17050458 0.79 RAB9A (0.49) RAB9AL3MBTL1MAPTMAPK1NPC1
SCHEMBL31225434 0.78 KDM4E (0.56) RAB9AMAPTSMN1; SMN2NPC1ACACB

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-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES 2006-08-10 — — 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-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ACACA, ACACB, ACAT1 RAB9A 3748/4885L3MBTL1 4006/4885MAPT 2146/4885

“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.

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