SCHEMBL12243116

SCHEMBL12243116

C=C(C)c1ccc(-c2cc(-c3ccc(CCCCC)cc3)on2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RARB P10826 5/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 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
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RARA P10276 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL12243114 0.99 THRA (0.47) THRATHRBRARBNPC1RAB9A
SCHEMBL12243115 0.96 NPC1 (0.45) THRATHRBRARBNPC1RAB9A
SCHEMBL12243117 0.96 NPC1 (0.45) THRATHRBRARBNPC1RAB9A
SCHEMBL12243112 0.91 NPC1 (0.47) THRBNPC1RAB9ACASP3SENP8
SCHEMBL12243228 0.88 RARB (0.50) THRATHRBRARBNPC1RAB9A
SCHEMBL8382725 0.87 RAB9A (0.49) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL8379558 0.87 RAB9A (0.49) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL8381233 0.87 RAB9A (0.49) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243111 0.87 RARB (0.51) THRATHRBRARBNPC1RAB9A
SCHEMBL12243234 0.87 RARB (0.51) THRATHRBRARBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 — — US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 — — 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 THRA 3060/4885THRB 3282/4885RARB 2792/4885

“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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