SCHEMBL14342029

SCHEMBL14342029

CC(=O)Nc1ccc(C23CC4CC5CC(C2)C5(C4)C3)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.64
▸ PGR P06401 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.45
▸ EPHX2 P34913 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL28205308 0.85 NPC1 (0.82) NPC1PGRSMN1; SMN2MAPTLMNA
SCHEMBL22445036 0.79 NPC1 (1.00) NPC1PGRSMN1; SMN2MAPTLMNA
SCHEMBL23601227 0.76 MEN1 (0.51) NPC1PGRSMN1; SMN2LMNAEPHX2
SCHEMBL25911451 0.75 EPHX2 (0.43) NPC1PGRSMN1; SMN2MAPTLMNA
SCHEMBL23206304 0.74 GRIN2D (0.40) NPC1PGRLMNAEPHX2ALDH1A1
SCHEMBL23195205 0.74 GRIN2D (0.40) NPC1PGRLMNAEPHX2ALDH1A1
SCHEMBL23194820 0.74 GRIN2D (0.40) NPC1PGRLMNAEPHX2ALDH1A1
SCHEMBL14342028 0.74 CA9 (0.44) NPC1PGRSMN1; SMN2LMNAALDH1A1
SCHEMBL19098273 0.73 LMNA (0.48) NPC1PGRSMN1; SMN2LMNAALDH1A1
SCHEMBL22453686 0.73 NPC1 (0.67) NPC1PGRSMN1; SMN2MAPTLMNA

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-20070280957-A1 Change of the Load State of Mhc Molecules MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2007-12-06 — — 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-20070280957-A1 Change of the Load State of Mhc Molecules HLA-DRB1, MICA, CD74 NPC1 1497/4885PGR 3720/4885SMN1; SMN2 3381/4885

“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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