SCHEMBL3676537

SCHEMBL3676537

[C]=C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 4/20 0.38
F2 P00734 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
F10 P00742 1/20 0.38
F12 P00748 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
SCHEMBL7136968 0.75 CES1 (0.45) CES1CES2TSHRALDH1A1DAO
SCHEMBL2181511 0.75 ALDH1A1 (0.53) CES1CES2TSHRALDH1A1DAO
SCHEMBL11775078 0.71 CES1 (0.41) CES1CES2TSHRALDH1A1DAO
SCHEMBL366630 0.71 CES1 (0.41) CES1CES2TSHRALDH1A1DAO
SCHEMBL80355 0.71 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL3841892 0.71 CES1 (0.41) CES1CES2TSHRALDH1A1DAO
SCHEMBL28632577 0.69 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL170296 0.69 ALDH1A1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL6935566 0.67 CES1 (0.38) CES1CES2TSHRALDH1A1DAO
SCHEMBL8946209 0.67 ALDH1A1 (0.43) CES1CES2TSHRALDH1A1DAO

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
EP-2864341-B1 METHOD FOR PREPARATION OF A RUTHENIUM INDENYLIDENE COMPLEX UMICORE AG & CO KG (DE) 2018-09-26 EP disclosed
EP-2679593-B1 Method for preparation of a ruthenium indenylidene complex UMICORE AG & CO KG (DE) 2018-03-21 EP disclosed
US-9604205-B2 Method for preparation of a ruthenium indenylidene complex UMICORE AG & CO. KG (DE) 2017-03-28 US disclosed
US-20170043332-A1 Method for Preparation of a Ruthenium Indenylidene Complex UMICORE AG & CO KG (DE) 2017-02-16 US disclosed
US-20160228864-A1 Method for Preparation of a Ruthenium Indenylidene Complex UMICORE AG & CO KG (DE) 2016-08-11 US disclosed
US-9339804-B2 Method for preparation of a ruthenium indenylidene complex UMICORE AG & CO. KG (DE) 2016-05-17 US disclosed
US-20150190795-A1 Method for Preparation of a Ruthenium Indenylidene Complex UMICORE AG & CO. KG (DE) 2015-07-09 US disclosed
EP-2864341-A1 METHOD FOR PREPARATION OF A RUTHENIUM INDENYLIDENE COMPLEX UMICORE AG & CO. KG (DE) 2015-04-29 EP disclosed
EP-1904424-B1 THE USE OF A PHOSPHORUS CONTAINING LIGAND AND A CYCLIC ORGANIC LIGAND IN A TRANSITION METAL COMPOUND UMICORE AG & CO KG (DE) 2014-12-10 EP disclosed
WO-2014001291-A1 METHOD FOR PREPARATION OF A RUTHENIUM INDENYLIDENE COMPLEX UMICORE AG & CO. KG (DE) 2014-01-03 WO disclosed
US-7671224-B2 Use of a phosphorus containing ligand and a cyclic organic ligand in a transition metal compound UMICORE AG & CO. KG (DE) 2010-03-02 US disclosed
US-20080221345-A1 Use of a Phosphorus Containing Ligand and a Cyclic Organic Ligand in a Transition Metal Compound UMICORE AG & CO KG (DE) 2008-09-11 US disclosed
EP-1904424-A2 THE USE OF A PHOSPHORUS CONTAINING LIGAND AND A CYCLIC ORGANIC LIGAND IN A TRANSITION METAL COMPOUND Sasol Technology (UK) Limited (GB) 2008-04-02 EP disclosed
WO-2007010453-A2 TRANSITION METAL COMPOUNDS HAVING A CYCLIC PHOSPHORUS-CONTAINING LIGAND AND A CYCLIC ORGANIC LIGAND FOR USE IN METATHESIS REACTIONS SASOL TECHNOLOGY (UK) LIMITED (GB) 2007-01-25 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 (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-20080221345-A1 Use of a Phosphorus Containing Ligand and a Cyclic Organic Ligand in a Transition Metal Compound SOST, BMP2, LIG1 CES1 4629/4885CES2 4548/4885TSHR 3347/4885
US-20150190795-A1 Method for Preparation of a Ruthenium Indenylidene Complex RPL3, RPL13A, PRPF3 CES1 3739/4885CES2 3942/4885TSHR 1962/4885
US-20160228864-A1 Method for Preparation of a Ruthenium Indenylidene Complex RPL3, RPL13A, UPP1 CES1 3441/4885CES2 3861/4885TSHR 1932/4885

“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.