SCHEMBL2899404

SCHEMBL2899404

O=C(OC1CC2C=CC1C2)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
LGALS9 O00182 1/20 0.42
LGALS8 O00214 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MMP3 P08254 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CDC25B P30305 2/20 0.38
PTPN1 P18031 1/20 0.38
PLK1 P53350 1/20 0.38
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL5057179 0.83 ALDH1A1 (0.40) BCHEKMT2APOLBGAAKDM4E
SCHEMBL5057177 0.83 ALDH1A1 (0.40) BCHEKMT2APOLBGAAKDM4E
SCHEMBL2896185 0.81 ALDH1A1 (0.41) BCHEKMT2APOLBKDM4EL3MBTL1
SCHEMBL2899217 0.78 SCN1A (0.49) KMT2AGAAALDH1A1MEN1SMN1; SMN2
SCHEMBL203615 0.78 CDC25B (0.44) KMT2APOLBGAANR4A1NR4A2
SCHEMBL6474822 0.78 TRPA1 (0.34) GAAKDM4EHPGDALDH1A1ATM
SCHEMBL2899524 0.77 CHRM2 (0.47) BCHE
SCHEMBL21895673 0.76 NR4A1 (0.45) POLBGAANR4A1NR4A2NR4A3
SCHEMBL200629 0.76 POLB (0.41) KMT2APOLBGAANR4A1NR4A2
SCHEMBL200409 0.76 HRH3 (0.46) KMT2APOLBGAANR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US claimed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US claimed
US-7646457-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2010-01-12 US disclosed
US-20070182895-A1 Liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-08-09 US disclosed
US-7101498-B2 Thermoplastic norbornene resin based optical film JSR CORPORATION (JP) 2006-09-05 US disclosed
US-6846890-B2 Norbornene derivative and norbornene polymer obtained therefrom through ring opening polymerization JSR CORPORATION (JP) 2005-01-25 US disclosed
US-20040242824-A1 NORBORNENE DERIVATIVE AND NORBORNENE POLYMER OBTAINED THEREFROM THROUGH RING OPENING POLYMERIZATION JSR CORPORATION (JP) 2004-12-02 US disclosed
US-20040242823-A1 Thermoplastic norbornene resin based optical film JSR CORPORATION (JP) 2004-12-02 US disclosed
EP-1459107-A2 THERMOPLASTIC NORBORNENE RESIN BASED OPTICAL FILM JSR Corporation (JP) 2004-09-22 EP disclosed
EP-1435350-A1 NORBORNENE DERIVATIVE AND NORBORNENE POLYMER OBTAINED THEREFROM THROUGH RING-OPENING POLYMERIZATION JSR Corporation (JP) 2004-07-07 EP disclosed
WO-2003056365-A2 THERMOPLASTIC NORBORNENE RESIN BASED OPTICAL FILM JSR CORPORATION (JP) 2003-07-10 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 (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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 BCHE 2840/4885KMT2A 4196/4885POLB 210/4885

“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.