SCHEMBL4264716

SCHEMBL4264716

C=C1CC(C)(C)C=C(c2ccco2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.35
POLB P06746 6/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.32
THRB P10828 2/20 0.32
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PABPC1 P11940 1/20 0.32
HIF1A Q16665 1/20 0.32
ATM Q13315 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
TDP2 O95551 2/20 0.31
NPC1 O15118 2/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL4264747 0.75 TOP1 (0.31)
SCHEMBL4264794 0.74 NPC1 (0.39) ALDH1A1HPGDNPC1LMNARAB9A
SCHEMBL4269309 0.73 PTPRC (0.40) ALDH1A1POLBHPGDHSD17B10MAPT
SCHEMBL4271555 0.73 LPL (0.33) LPLLIPG
SCHEMBL4265758 0.72 ALDH1A1 (0.36) ALDH1A1POLBHPGDHSD17B10MAPT
SCHEMBL4266564 0.72 CHRM1 (0.31)
SCHEMBL4279182 0.71 SMN1; SMN2 (0.38) ALDH1A1MAPTKDM4EMAOB
SCHEMBL4269313 0.71 ALOX5 (0.35)
SCHEMBL4274363 0.70
SCHEMBL4264734 0.70 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 EP 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 ALDH1A1 1104/4885POLB 3064/4885HPGD 425/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 ALDH1A1 2177/4885POLB 97/4885HPGD 4308/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 ALDH1A1 595/4885POLB 2724/4885HPGD 467/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 ALDH1A1 1294/4885POLB 2907/4885HPGD 435/4885

“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.