SCHEMBL29554

SCHEMBL29554

Fc1ccc(O[C]2CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.46
TRPA1 O75762 9/20 0.45
MAPK14 Q16539 1/20 0.41
AR P10275 1/20 0.41
EPAS1 Q99814 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL10456772 0.84 TRPA1 (0.56) HSPB1TRPA1AREPAS1
SCHEMBL29965 0.77 HTR1A (0.47) HSPB1
SCHEMBL22681688 0.71 MAPK14 (0.55) HSPB1TRPA1MAPK14ARPTGS2
SCHEMBL10943638 0.70 BRD4 (0.41) HSPB1TRPA1MAPK14EPAS1PTGS2
SCHEMBL1547178 0.70 CES2 (0.43) HSPB1TRPA1
SCHEMBL22060037 0.70 ALDH1A1 (0.42) HSPB1TRPA1
SCHEMBL16392368 0.70 IDO1 (0.48) HSPB1TRPA1
SCHEMBL29366053 0.70 LMNA (0.53) TRPA1
SCHEMBL1484426 0.70 IDO1 (0.43) HSPB1TRPA1
SCHEMBL197204 0.70 LMNA (0.53) TRPA1

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 15 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
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
EP-2782904-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US 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
WO-2013076227-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO 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 HSPB1 1581/4885TRPA1 2925/4885MAPK14 931/4885
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES TYMP, TYMS, UMPS HSPB1 3371/4885TRPA1 1236/4885MAPK14 2896/4885
US-20120220638-A1 5-Iodotriazole derivatives INMT, IGFBP5, HDHD5 HSPB1 2723/4885TRPA1 3157/4885MAPK14 1922/4885
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB HSPB1 3294/4885TRPA1 893/4885MAPK14 1196/4885

“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.