SCHEMBL15979671

SCHEMBL15979671

Cc1cccc(C(=O)CCC(=O)c2cccc(Br)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.57
P2RX7 Q99572 1/20 0.51
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.38
CTSA P10619 3/20 0.37
MEN1 O00255 1/20 0.37
GBA1 P04062 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL15988712 0.89 ALDH1A1 (0.51) GRM5P2RX7ALDH1A1HPGDCTNNB1
SCHEMBL4880259 0.85 KDM4E (0.46) GRM5P2RX7ALDH1A1HPGDCTNNB1
SCHEMBL5311440 0.83 P2RX7 (0.54) GRM5P2RX7CTNNB1WNT3ARAB9A
SCHEMBL17449370 0.83 HPGD (0.46) GRM5P2RX7ALDH1A1HPGDCYP1A2
SCHEMBL17828018 0.81 P2RX7 (0.56) GRM5P2RX7HPGDCTNNB1WNT3A
SCHEMBL4835374 0.80 ALDH1A1 (0.44) GRM5ALDH1A1HPGDRAB9ACYP1A2
SCHEMBL17529493 0.80 ALDH1A1 (0.44) GRM5ALDH1A1HPGDCTNNB1WNT3A
SCHEMBL30744821 0.79 P2RX7 (0.58) GRM5P2RX7RAB9ACYP1A2NPC1
SCHEMBL4307414 0.79 P2RX7 (0.58) GRM5P2RX7RAB9ACYP1A2NPC1
SCHEMBL6564811 0.79 ALDH1A1 (0.49) GRM5P2RX7ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20180193244-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-12 US disclosed
US-9951053-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2018-04-24 US disclosed
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2017-09-14 US disclosed
US-9533976-B2 γ-diketones as WNT/β-catenin signaling pathway activators SAMUMED, LLC (US) 2017-01-03 US disclosed
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2016-07-21 US disclosed
US-20140243349-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2014-08-28 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 (5 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-20180193244-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA GRM5 3694/4885P2RX7 4273/4885ALDH1A1 985/4885
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 GRM5 3591/4885P2RX7 3426/4885ALDH1A1 1019/4885
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA GRM5 3694/4885P2RX7 4273/4885ALDH1A1 985/4885
US-20140243349-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 GRM5 3591/4885P2RX7 3426/4885ALDH1A1 1019/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 GRM5 3537/4885P2RX7 3352/4885ALDH1A1 1093/4885

“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.