SCHEMBL12436905

SCHEMBL12436905

CCS(=O)(=O)NCCCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIA1 P42261 3/20 0.41
REN P00797 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CNR2 P34972 1/20 0.35
PPARA Q07869 2/20 0.34
LMNA P02545 1/20 0.33
RELA Q04206 4/20 0.33

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
SCHEMBL19996824 0.86 KMT2A (0.39) MEN1KMT2AGRIA1RENCA1
SCHEMBL17771177 0.85 REN (0.40) MEN1KMT2AGRIA1RENCA1
SCHEMBL10147425 0.84 GRIA1 (0.50) MEN1KMT2AGRIA1RENCA1
SCHEMBL3433536 0.79 GRIA1 (0.43) MEN1KMT2AGRIA1RENCA1
SCHEMBL23542459 0.77 GRIA1 (0.71) GRIA1RENCA1CA2CA12
SCHEMBL14004444 0.77 CA1 (0.58) GRIA1CA1CA2CA12CA7
SCHEMBL1727287 0.77 GRIA1 (0.46) MEN1KMT2AGRIA1RENCA1
SCHEMBL17771179 0.77 GRIA1 (0.47) GRIA1RENCA1CA2CA12
SCHEMBL26724826 0.77 CA1 (0.50) GRIA1RENCA1CA2CA12
SCHEMBL12232575 0.77 GRIA1 (0.57) MEN1KMT2AGRIA1RENCA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2024-07-11 US disclosed
US-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2023-01-05 US disclosed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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 (4 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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PEBP1, PLTP MEN1 3355/4885KMT2A 4194/4885GRIA1 3399/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MEN1 2755/4885KMT2A 3715/4885GRIA1 2975/4885
US-20240226026-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS PLTP, LNPK, PLIN3 MEN1 3396/4885KMT2A 4165/4885GRIA1 2780/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 MEN1 4836/4885KMT2A 1664/4885GRIA1 3766/4885

“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.