SCHEMBL435077

SCHEMBL435077

Fc1ccc(C2CCC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.54
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
GRM2 Q14416 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
GAA P10253 1/20 0.40
F2RL1 P55085 1/20 0.40
HCRTR2 O43614 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL436724 0.96 OPRL1 (0.58) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL435254 0.94 OPRL1 (0.59) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL434354 0.91 OPRL1 (0.57) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL29266754 0.84 OPRL1 (0.56) OPRL1HTR2AHTR2CHTR2BGRM2
SCHEMBL16404878 0.83 OPRL1 (0.49) OPRL1GRM2F2RL1HCRTR2
SCHEMBL28247579 0.83 KDM1A (0.52) OPRL1NOS3NOS1NOS2CHRNB2
SCHEMBL23484495 0.82 OPRL1 (0.50) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL187795 0.82 SLC6A2 (0.55) OPRL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28712898 0.82 OPRL1 (0.50) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL5019341 0.82 OPRL1 (0.50) OPRL1HTR2AHTR2CHTR2BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653300-A1 OLEFIN OLIGOMERIZATION PROCESS WITH A CATALYST COMPRISING A CHROMIUM COMPLEX WITH A PHOSPHACYCLE-CONTAINING LIGAND Dow Global Technologies LLC (US) 2020-05-20 EP disclosed
EP-3653299-A1 CHROMIUM COMPLEX WITH A PHOSPHACYCLE-CONTAINING LIGAND AND OLEFIN OLIGOMERISATION CATALYST THEREFROM Dow Global Technologies LLC (US) 2020-05-20 EP disclosed
EP-3453452-A2 PHOSPHACYCLE-CONTAINING LIGAND FOR CHROMIUM COMPLEX AND OLEFIN OLIGOMERISATION CATALYST THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-13 EP disclosed
CN-105431414-B The 4 round rings formamides as nematicide 先正达参股股份有限公司 2018-06-15 CN disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (1 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN OPRL1 255/4885HTR2A 887/4885HTR2C 917/4885

“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.