SCHEMBL30044

SCHEMBL30044

Fc1ccc(O[C]2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.43
HSPB1 P04792 1/20 0.43
GAA P10253 1/20 0.41
LTA4H P09960 1/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HTR1A P08908 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN4A P35499 2/20 0.38
MAOB P27338 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL22715999 0.90 LTA4H (0.42) SOS1HSPB1GAALTA4HSLC6A2
SCHEMBL6290683 0.80 SOS1 (0.58) SOS1HSPB1GAALTA4HMEN1
SCHEMBL6289867 0.80 SOS1 (0.58) SOS1HSPB1GAALTA4HMEN1
SCHEMBL351854 0.80 SOS1 (0.58) SOS1HSPB1GAALTA4HMEN1
SCHEMBL7367702 0.77 SOS1 (0.56) SOS1HSPB1GAALTA4HMEN1
SCHEMBL31655464 0.72 SOS1 (0.52) SOS1HSPB1GAALTA4HMEN1
SCHEMBL29855 0.72 LTA4H (0.61) LTA4HKMT2AKDM4EMAOB
SCHEMBL6290665 0.72 SMN1; SMN2 (0.60) SOS1HSPB1GAALTA4HMEN1
SCHEMBL6289255 0.72 SMN1; SMN2 (0.60) SOS1HSPB1GAALTA4HMEN1
SCHEMBL4569951 0.72 SMN1; SMN2 (0.60) SOS1HSPB1GAALTA4HMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
CN-103180301-B 5-iodo triazole derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN disclosed
US-9095136-B2 2-IODO imidazole-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2609088-B1 5-IODO-TRIAZOLE DERIVATIVES BAYER IP GMBH (DE) 2015-04-29 EP disclosed
US-8969248-B2 5-iodotriazole derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-03 US disclosed
US-20140336232-A1 2-IODO IMIDAZOLE-DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-13 US disclosed
CN-104066725-A Novel heterocyclic alkanol derivatives BAYER IP GMBH 2014-09-24 CN disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 US disclosed
CN-104039146-A 2-iodo Imidazole-derivatives BAYER IP GMBH 2014-09-10 CN disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
CN-103391926-A Pyrimidine derivatives and use thereof as pesticides BAYER IP GMBH 2013-11-13 CN disclosed
EP-2646418-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-10-09 EP disclosed
EP-2609088-A1 5-IODO-TRIAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-07-03 EP disclosed
CN-103180301-A 5-iodo-triazole derivatives BAYER CROPSCIENCE AG 2013-06-26 CN disclosed
US-20120220638-A1 5-Iodotriazole derivatives BAYER CROPSCIENCE AG (DE) 2012-08-30 US disclosed
WO-2012072547-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-06-07 WO disclosed
WO-2012025506-A1 5-IODO-TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-03-01 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 (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-20140336232-A1 2-IODO IMIDAZOLE-DERIVATIVES CIP2A, ING2, AZI2 SOS1 2287/4885HSPB1 1581/4885GAA 2076/4885
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES TYMP, TYMS, UMPS SOS1 1793/4885HSPB1 3371/4885GAA 1891/4885
US-20120220638-A1 5-Iodotriazole derivatives INMT, IGFBP5, HDHD5 SOS1 1594/4885HSPB1 2723/4885GAA 2346/4885
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB SOS1 2186/4885HSPB1 3294/4885GAA 939/4885

“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.