SCHEMBL826152

SCHEMBL826152

C1CCC1.CC(C)c1ccc2ccoc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.45
PEPD P12955 1/20 0.39
XPNPEP1 Q9NQW7 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL827229 0.94 HTR1B (0.49) HTR1BPEPDXPNPEP1KDM4EHSD17B10
SCHEMBL30286862 0.94 HTR1B (0.49) HTR1BPEPDXPNPEP1KDM4EHSD17B10
SCHEMBL20072504 0.79 HTR1B (0.46) HTR1BPEPDXPNPEP1KDM4EHSD17B10
SCHEMBL2093603 0.79 HTR1B (0.46) HTR1BPEPDXPNPEP1KDM4EHSD17B10
SCHEMBL2607415 0.79 HTR1B (0.49) HTR1BKDM4EHSD17B10CYP2A6MEN1
SCHEMBL3790878 0.76 HTR1B (0.49) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL19308858 0.76 HTR1B (0.42) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL25637607 0.75 HTR1B (0.46) HTR1BPEPDXPNPEP1KDM4EHSD17B10
SCHEMBL827503 0.75 CYP2A6 (0.42) HTR1BKDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL23075680 0.74 HTR1B (0.40) HTR1BKDM4EHSD17B10CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTR1B 3539/4885PEPD 2043/4885XPNPEP1 2979/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS HTR1B 3596/4885PEPD 1679/4885XPNPEP1 2779/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS HTR1B 3539/4885PEPD 2043/4885XPNPEP1 2979/4885

“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.