SCHEMBL10170027

SCHEMBL10170027

CCCCOC/C=C\COCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30297390 1.00 TSHR (0.48) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL5520472 1.00 TSHR (0.48) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL5520469 1.00 TSHR (0.48) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL13194768 0.92 TSHR (0.42) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL8744116 0.92 HTT (0.46) TSHRMEN1THRBHTTKMT2A
SCHEMBL8482915 0.89 THRB (0.50) TSHRMEN1THRBHTTKMT2A
SCHEMBL8482916 0.89 THRB (0.50) TSHRMEN1THRBHTTKMT2A
SCHEMBL5440335 0.88 TSHR (0.50) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL18328170 0.88 TSHR (0.39) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL13889961 0.88 TSHR (0.50) TSHRADRB2ADRB1ADRB3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9713808-B2 Highly Z-selective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-25 US disclosed
US-20170113984-A1 HIGHLY Z-SELECTIVE OLEFIN METATHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
US-9403854-B2 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-02 US disclosed
US-20160008802-A1 HIGHLY Z-SELECTIVE OLEFIN METATHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-14 US disclosed
US-9096519-B2 Process for the synthesis of ketones from internal alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-04 US disclosed
US-9079173-B2 Highly Z-selective olefins metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-14 US disclosed
US-20140288319-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-25 US disclosed
US-20140194604-A1 PROCESS FOR THE SYNTHESIS OF KETONES FROM INTERNAL ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-07-10 US disclosed
US-20130274482-A1 HIGHLY Z-SELECTIVE OLEFINS METATHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2013-10-17 US disclosed
EP-1497299-B1 CROSS-METATHESIS OF OLEFINS DIRECTLY SUBSTITUTED WITH AN ELECTRON-WITHDRAWING GROUP USING TRANSITION METAL CARBENE CATALYSTS CALIFORNIA INST OF TECHN (US) 2012-06-27 EP disclosed
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
US-7785839-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2010-08-31 US disclosed
US-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-01-08 US disclosed
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-05 US 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 (7 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-20170113984-A1 HIGHLY Z-SELECTIVE OLEFIN METATHESIS ZDHHC2, ZDHHC7, JUN TSHR 4678/4885ADRB2 1654/4885ADRB1 2116/4885
US-20140288319-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS OXER1, OSTC, OXSR1 TSHR 2555/4885ADRB2 1501/4885ADRB1 2844/4885
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts OXER1, OSTC, OXSR1 TSHR 2555/4885ADRB2 1501/4885ADRB1 2844/4885
US-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines TET1, TET3, TET2 TSHR 2408/4885ADRB2 1654/4885ADRB1 2300/4885
US-20140194604-A1 PROCESS FOR THE SYNTHESIS OF KETONES FROM INTERNAL ALKENES FASN, NOTUM, DGAT2 TSHR 4198/4885ADRB2 1667/4885ADRB1 1841/4885
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides DCTD, AMPD1, DAD1 TSHR 3705/4885ADRB2 3370/4885ADRB1 2074/4885
US-20160008802-A1 HIGHLY Z-SELECTIVE OLEFIN METATHESIS ZDHHC2, ZDHHC7, JUN TSHR 4678/4885ADRB2 1654/4885ADRB1 2116/4885

“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.