SCHEMBL2405503

SCHEMBL2405503

CC(C)c1cc(C(N)=O)oc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
EGFR P00533 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
ALOX5 P09917 1/20 0.33
PARP1 P09874 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL2403462 0.82 PTGER4 (0.46) ALDH1A1KMT2APOLBL3MBTL1FABP3
SCHEMBL2405380 0.82 ALDH1A1 (0.41) ALDH1A1KMT2APOLBL3MBTL1FABP3
SCHEMBL14072951 0.81 ALOX5 (0.44) ALDH1A1KMT2APOLBL3MBTL1FABP3
SCHEMBL2405681 0.78 MAPT (0.46) ALDH1A1KMT2APOLBL3MBTL1KDM4E
SCHEMBL2405272 0.70 KMT2A (0.43) ALDH1A1KMT2APOLBL3MBTL1PTGER4
SCHEMBL2406820 0.68 NPC1 (0.53) ALDH1A1KMT2APOLBKDM4ELMNA
SCHEMBL2404218 0.68 POLB (0.57) ALDH1A1KMT2APOLBL3MBTL1KDM4E
SCHEMBL12795929 0.68 CA1 (0.33) GAACA1CA2
SCHEMBL12848863 0.66 MEN1 (0.38) KMT2AALOX5LMNACA1CA2
SCHEMBL280106 0.65 LMNA (0.43) ALDH1A1KMT2APOLBL3MBTL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
CN-101821236-B Five-membered heterocyclic compound RES FOUND ITSUU LAB 2013-05-08 CN disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
CN-101821236-A Five-membered heterocyclic compound RES FOUND ITSUU LAB 2010-09-01 CN disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 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 (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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB ALDH1A1 592/4885KMT2A 2788/4885POLB 3549/4885

“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.