SCHEMBL12243118

SCHEMBL12243118

C=C(C)c1ccc(-c2cc(-c3ccc(CCc4ccccc4)cc3)on2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTGS2 P35354 2/20 0.47
▸ CXCR1 P25024 3/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.44

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
SCHEMBL12243112 0.88 NPC1 (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243235 0.87 RAB9A (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243115 0.86 NPC1 (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243117 0.86 NPC1 (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243116 0.85 THRA (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2351221 0.84 ABCB1 (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243114 0.84 THRA (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12243109 0.82 NPC1 (0.59) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL9806339 0.77 HDAC1 (0.50) NPC1RAB9A
SCHEMBL2355983 0.75 NPC1 (0.58) NPC1RAB9ACASP3SENP8SENP7

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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