SCHEMBL22550596

SCHEMBL22550596

CC(C)[C@H](C)CCOC(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CHRNA7 P36544 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL5540368 0.87 LMNA (0.62) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL22550553 0.85 MEN1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL22550479 0.84 LMNA (0.58) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL20718275 0.84 LMNA (0.58) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL22550456 0.84 LMNA (0.58) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL22550488 0.84 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL10595749 0.80 LMNA (0.65) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL4716683 0.80 LMNA (0.57) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL27756497 0.80 LMNA (0.57) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL12459476 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TSHRLMNA

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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-15 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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF PLG, LIPA, MB NPC1 2832/4885RAB9A 3115/4885SMN1; SMN2 3525/4885

“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.