SCHEMBL27256224

SCHEMBL27256224

Cc1nc2cc(O[C@H]3CC[C@@H](C(C)=O)CC3)ccc2n1C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 10/20 0.58
▸ MAPT P10636 2/20 0.52
▸ ACACB O00763 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL26780280 0.91 ACSL1 (0.69) ACSL1MAPTKDM4ENPC1RAB9A
SCHEMBL27256212 0.82 ACSL1 (0.85) ACSL1
SCHEMBL27256216 0.81 ACSL1 (0.86) ACSL1ACACB
SCHEMBL27256226 0.81 ACSL1 (0.60) ACSL1
SCHEMBL19023229 0.80 MAPT (0.53) ACSL1MAPTKDM4ENPC1RAB9A
SCHEMBL27256227 0.80 ACSL1 (0.86) ACSL1
SCHEMBL27256180 0.80 ACSL1 (0.86) ACSL1
SCHEMBL27256217 0.77 ACSL1 (0.71) ACSL1ACACB
SCHEMBL27256219 0.77 ACSL1 (0.71) ACSL1
SCHEMBL15000609 0.75 MAPT (0.60) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 — — 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-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 ACSL1 90/4885MAPT 2566/4885ACACB 40/4885

“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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