SCHEMBL1776277

SCHEMBL1776277

C=CCC(CC=C)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.43
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
AGXT P21549 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL9577155 0.92 SMN1; SMN2 (0.41) SMN1; SMN2TSHRIDO1SLC1A3SLC1A2
SCHEMBL9497399 0.92 SMN1; SMN2 (0.41) SMN1; SMN2TSHRIDO1SLC1A3SLC1A2
SCHEMBL16370105 0.89 SLC1A3 (0.39) SMN1; SMN2TSHRIDO1SLC1A3SLC1A2
SCHEMBL22490406 0.89 MEN1 (0.40) SMN1; SMN2TSHRIDO1SLC1A3SLC1A2
SCHEMBL15602691 0.88 SMN1; SMN2 (0.38) SMN1; SMN2TSHRIDO1SLC1A3SLC1A2
SCHEMBL1777446 0.85 TSHR (0.47) SMN1; SMN2TSHRIDO1CYP2C19TDP1
SCHEMBL11514285 0.85 LMNA (0.39) SMN1; SMN2TSHRCYP2C19MEN1CYP1A2
SCHEMBL30876749 0.85 TDP1 (0.39) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL14393103 0.84 SMN1; SMN2 (0.43) SMN1; SMN2TSHRIDO1SLC1A3SLC1A2
SCHEMBL16177752 0.84 BCHE (0.39) SMN1; SMN2TSHRTDP1RCE1L3MBTL1

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20160031845-A1 IN-SITU GENERATION OF RUTHENIUM CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2016-02-04 US disclosed
US-20150322079-A1 LOW CATALYST LOADING IN METATHESIS REACTIONS EVONIK INDUSTRIES AG (DE) 2015-11-12 US disclosed
US-20150322079-A1 LOW CATALYST LOADING IN METATHESIS REACTIONS EVONIK INDUSTRIES AG (DE) 2015-11-12 US disclosed
EP-2711351-A1 Low catalyst loading in metathesis reactions Evonik Industries AG (DE) 2014-03-26 EP disclosed
US-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-7943715-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 US disclosed
US-20080221286-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
CN-101255211-A Diene polymer and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN 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 (4 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-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS DDO, APEX1, MMAB SMN1; SMN2 3560/4885TSHR 2913/4885IDO1 849/4885
US-20160031845-A1 IN-SITU GENERATION OF RUTHENIUM CATALYSTS FOR OLEFIN METATHESIS LOXL2, MLX, MCOLN2 SMN1; SMN2 4316/4885TSHR 3370/4885IDO1 412/4885
US-20150322079-A1 LOW CATALYST LOADING IN METATHESIS REACTIONS APEX1, PMS2, MAX SMN1; SMN2 3506/4885TSHR 4795/4885IDO1 1817/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 SMN1; SMN2 1942/4885TSHR 687/4885IDO1 3825/4885

“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.