SCHEMBL12243115

SCHEMBL12243115

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RARB P10826 2/20 0.43
▸ CTRC Q99895 1/20 0.42
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL12243117 1.00 NPC1 (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243116 0.96 THRA (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243114 0.95 THRA (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243112 0.92 NPC1 (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243224 0.88 RARB (0.49) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL12243230 0.88 RARB (0.49) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL12243118 0.86 NPC1 (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2352909 0.85 RARB (0.63) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL12243251 0.85 RARB (0.63) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL12243228 0.84 RARB (0.50) NPC1RAB9AMAPTNFKB1NFKB2

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 NPC1 506/4885RAB9A 2480/4885CASP3 1190/4885

“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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