SCHEMBL15536727

SCHEMBL15536727

CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 1.00
PLA2G1B P04054 10/20 1.00
THRA P10827 6/20 1.00
THRB P10828 6/20 1.00
CYP1A2 P05177 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
RECQL P46063 1/20 1.00
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL6905318 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL16225997 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL16226604 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL8984288 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL8984283 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL16226603 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL16226350 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL16226164 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL16226351 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL6905321 1.00 ATG4B (1.00) ATG4BPLA2G1BTHRATHRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 US disclosed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
WO-2013177492-A2 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2013-11-28 WO 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 (2 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ATG4B 4484/4885PLA2G1B 2591/4885THRA 26/4885
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC ATG4B 641/4885PLA2G1B 64/4885THRA 3905/4885

“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.