SCHEMBL2405520

SCHEMBL2405520

CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)oc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
KMT2A Q03164 1/20 0.51
AKR1C3 P42330 2/20 0.50
SIRT6 Q8N6T7 2/20 0.50
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
PYGL P06737 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
POLH Q9Y253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL2405550 0.88 SMN1; SMN2 (0.53) AKR1C3MAPTHSD17B10PLGKLK1
SCHEMBL2411251 0.88 RARA (0.46) PKMKMT2AAKR1C3SIRT6MAPT
SCHEMBL2405034 0.87 AKR1C3 (0.44) PKMKMT2AAKR1C3MAPTHSD17B10
SCHEMBL2405012 0.85 KMT2A (0.46) KMT2AAKR1C3MAPTHSD17B10TSHR
SCHEMBL2406820 0.82 NPC1 (0.53) KMT2AHSD17B10POLBALDH1A1HPGD
SCHEMBL2405376 0.79 NPC1 (0.62) KMT2AMAPTPOLBTSHRALDH1A1
SCHEMBL2406209 0.79 SMN1; SMN2 (0.59) KMT2AHSD17B10POLBALDH1A1KDM4E
SCHEMBL2404915 0.78 KMT2A (0.46) KMT2AMAPTHSD17B10TSHRTDP1
SCHEMBL2406391 0.78 KMT2A (0.43) KMT2AMAPTHSD17B10TSHRALDH1A1
SCHEMBL2406926 0.78 RAB9A (0.42) KMT2AHSD17B10TDP1PLGKLK1

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 6 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-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
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 PKM 2977/4885KMT2A 2788/4885AKR1C3 62/4885

“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.