SCHEMBL29966

SCHEMBL29966

Fc1ccccc1OC1CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.61
HTR1A P08908 9/20 0.61
SLC6A3 Q01959 5/20 0.61
SLC6A4 P31645 3/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
FPR2 P25090 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
HRH1 P35367 1/20 0.43
HTR2C P28335 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 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
SCHEMBL17123797 0.91 SLC6A2 (0.57) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL18186077 0.90 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL16571016 0.90 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL9538522 0.90 SLC6A2 (0.56) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL12181083 0.86 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL234010 0.86 SLC6A2 (0.81) SLC6A2HTR1ASLC6A3SLC6A4HRH1
SCHEMBL2298389 0.86 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL24247168 0.86 SLC6A2 (0.49) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL24247269 0.86 SLC6A2 (0.49) SLC6A2HTR1ASLC6A3SLC6A4LPAR1
SCHEMBL21055229 0.85 SLC6A2 (0.51) SLC6A2HTR1ASLC6A3SLC6A4LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
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
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
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 (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-20140336232-A1 2-IODO IMIDAZOLE-DERIVATIVES CIP2A, ING2, AZI2 SLC6A2 4614/4885HTR1A 3848/4885SLC6A3 4423/4885
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES TYMP, TYMS, UMPS SLC6A2 4458/4885HTR1A 3588/4885SLC6A3 3862/4885
US-20120220638-A1 5-Iodotriazole derivatives INMT, IGFBP5, HDHD5 SLC6A2 4205/4885HTR1A 2432/4885SLC6A3 3072/4885
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS PIK3CA, AKT1, PIK3CB SLC6A2 4778/4885HTR1A 4211/4885SLC6A3 4708/4885
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB SLC6A2 4853/4885HTR1A 3543/4885SLC6A3 4812/4885

“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.