SCHEMBL29956487

SCHEMBL29956487

O=CCCOC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
ADRB2 P07550 6/20 0.32
ADRB1 P08588 6/20 0.32
ADRB3 P13945 1/20 0.32
HPGD P15428 1/20 0.32
NAAA Q02083 1/20 0.30

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
SCHEMBL29951010 0.98 NPC1 (0.47) NPC1ADH1BADH1CADH1AADH4
SCHEMBL386138 0.98 NPC1 (0.47) NPC1ADH1BADH1CADH1AADH4
SCHEMBL1400901 0.95
SCHEMBL10749421 0.90
SCHEMBL23270238 0.86 NPC1 (0.41) NPC1ADH1BADH1CADH1AADH4
SCHEMBL27599955 0.85 NPC1 (0.44) NPC1ADH1BADH1CADH1AADH4
SCHEMBL23270243 0.85 NPC1 (0.39) NPC1HPGDNAAA
SCHEMBL8697181 0.80 SPHK1 (0.35)
SCHEMBL19172102 0.80
SCHEMBL29957753 0.78 MCHR1 (0.31)

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-20250171463-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. 2025-05-29 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20250171463-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF EBPL, EBP, CREBBP NPC1 1319/4885ADH1B 2269/4885ADH1C 2348/4885

“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.