SCHEMBL2170349

SCHEMBL2170349

CC(C)C/C=C\c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.70
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL107851 1.00 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL107852 1.00 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
Styrene SCHEMBL812462 0.90 HTR2A (0.59) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL14037582 0.86 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL7647009 0.86 HTR2A (0.54) HTR2AIDO1GRIK1GRIK2SIGMAR1
SCHEMBL7145801 0.85 MAOB (0.56) HTR2AIDO1PAMMAOB
SCHEMBL28785261 0.83 HTR2A (0.51) HTR2ASIGMAR1
SCHEMBL8826291 0.83 HTR2A (0.66) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL19586953 0.83 HTR2A (1.00) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL19604562 0.83 HTR2A (0.66) HTR2AIDO1PAMGRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-1970368-B1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-08-29 EP disclosed
US-7985872-B2 Method for producing olefin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-26 US disclosed
US-20090036620-A1 METHOD FOR PRODUCING OLEFIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1970368-A1 METHOD FOR PRODUCING OLEFIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-09-17 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 (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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR2A 3630/4885IDO1 4758/4885PAM 2602/4885

“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.