SCHEMBL2212307

SCHEMBL2212307

CCCOc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
MAOB P27338 2/20 0.45
AOC3 Q16853 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KAT6A Q92794 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
PDK2 Q15119 1/20 0.42
MEN1 O00255 1/20 0.42
MCL1 Q07820 1/20 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
SCHEMBL7784021 0.88 NR5A1 (0.52) LTA4HMAPTHTR1AHTR1BPDK2
SCHEMBL8454472 0.86 NR5A1 (0.55) LTA4HMAPTHTR1AHTR1B
SCHEMBL17432926 0.86 MRGPRX4 (0.47) LTA4HCA12CA1CA2CA7
SCHEMBL23473367 0.84 PTGS1 (0.45) LTA4HCA12CA1CA2CA7
SCHEMBL1547853 0.83 NQO1 (0.56) LTA4HMAOBAOC3MAPTKMT2A
SCHEMBL17534283 0.82 LTA4H (0.55) LTA4HCA12CA1CA2CA7
SCHEMBL26426449 0.82 CA12 (0.43) LTA4HCA12CA1CA2CA7
SCHEMBL24429662 0.82 MAPT (0.55) LTA4HCA12CA1CA2CA7
SCHEMBL17433278 0.82 GPR84 (0.50) LTA4HCA12CA1CA2CA7
SCHEMBL19059333 0.82 CA12 (0.45) LTA4HCA12CA1CA2CA7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
EP-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-1997867-B1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORP (JP) 2010-01-06 EP disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1655360-B1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORP (JP) 2008-11-12 EP disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20060097226-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION 2006-05-11 US disclosed
EP-1655360-A1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2006-05-10 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 (5 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS LTA4H 4349/4885CA12 4435/4885CA1 4448/4885
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 LTA4H 617/4885CA12 2964/4885CA1 2127/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 LTA4H 1834/4885CA12 4309/4885CA1 3385/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 LTA4H 4244/4885CA12 3220/4885CA1 4057/4885
US-20060097226-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition BRD1, CNOT1, CXCR1 LTA4H 617/4885CA12 2964/4885CA1 2127/4885

“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.