SCHEMBL14117366

SCHEMBL14117366

Cc1cc(C)c(C)c(C(=O)NCCCCNC(=O)c2cc(C)cc(C)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TSHR P16473 3/20 0.47
▸ HTT P42858 2/20 0.46
▸ HPGD P15428 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX5 P09917 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
SCHEMBL1003874 0.88 POLB (0.47) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL27106031 0.81 KDM4E (0.38) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL18646127 0.79 NAAA (0.54) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL1005549 0.77 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL18645026 0.77 NR5A2 (0.55) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL28472945 0.77 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL13655602 0.77 HTT (0.36) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL25779498 0.76 MEN1 (0.43) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL27447312 0.74 L3MBTL1 (0.49) SMN1; SMN2TSHRHTTHPGDKDM4E
SCHEMBL19222237 0.73 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ATSHRHTT

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-20080177102-A1 DENDRITIC AND STAR-SHAPED CONTRAST AGENTS FOR MEDICAL DEVICES AND BIOABSORBABLE RADIOPAQUE BULK MATERIAL AND METHOD FOR PRODUCING SAME CORDIS US CORP 2008-07-24 — — 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-20080177102-A1 DENDRITIC AND STAR-SHAPED CONTRAST AGENTS FOR MEDICAL DEVICES AND BIOABSORBABLE RADIOPAQUE BULK MATERIAL AND METHOD FOR PRODUCING SAME MSR1, MYD88, CD209 SMN1; SMN2 4093/4885NPC1 1582/4885RAB9A 504/4885

“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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