SCHEMBL827474

SCHEMBL827474

CCCCOc1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
CYP19A1 P11511 6/20 0.46
CYP2D6 P10635 6/20 0.46
CYP1A2 P05177 6/20 0.46
CYP2C9 P11712 5/20 0.46
CYP2C19 P33261 5/20 0.46
NR5A1 Q13285 1/20 0.46
CYP3A4 P08684 4/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL27758295 0.92 NR5A1 (0.52) LTA4HNR5A1TSHRNPC1RAB9A
SCHEMBL15060891 0.81 CYP2D6 (0.56) LTA4HCYP19A1CYP2D6CYP1A2CYP2C9
SCHEMBL826990 0.80
SCHEMBL13527213 0.78 CYP2D6 (0.53) LTA4HCYP19A1CYP2D6CYP1A2CYP2C9
SCHEMBL26850 0.77 LTA4H (0.70) LTA4HCYP19A1CYP2D6CYP1A2CYP2C9
SCHEMBL28058539 0.76 ALDH1A1 (0.36) LTA4HALDH1A1
SCHEMBL6900485 0.73 CYP1A2 (0.41) LTA4HCYP19A1CYP2D6CYP1A2CYP2C9
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.72 LTA4H (0.64) LTA4HCYP2D6NR5A1CYP3A4CA12
1,4-Dipropoxybenzene SCHEMBL10846150 0.72 LTA4H (0.64) LTA4HCYP2D6NR5A1CYP3A4CA12
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.72 NR5A1 (0.75) LTA4HCYP2D6NR5A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073949-B Aqueous composition, cured product, and laminate 荒川化学工业株式会社 2024-07-12 CN disclosed
CN-115073949-A Aqueous composition, cured product and laminate 荒川化学工业株式会社 2022-09-20 CN disclosed
CN-104755556-B Electroconductive polymer/polyanionic complexes organic solvent dispersion, the conductive composition containing the organic solvent dispersion and the conductive film covering as made from the conductive composition 荒川化学工业株式会社 2018-12-14 CN disclosed
CN-104755556-A Organic solvent dispersoid for conductive polymer/polyanion complex, conductive composition containing said dispersoid, and conductive film obtained from said composition ARAKAWA CHEM IND 2015-07-01 CN disclosed
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
CN-101538435-A Antistatic coating agent ARAKAWA CHEM IND 2009-09-23 CN disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (3 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS LTA4H 3889/4885CYP19A1 553/4885CYP2D6 257/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS LTA4H 3798/4885CYP19A1 723/4885CYP2D6 330/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS LTA4H 3889/4885CYP19A1 553/4885CYP2D6 257/4885

“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.