SCHEMBL7126586

SCHEMBL7126586

COC(=O)C1=C2CCC(=C1C(=O)OC)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 5/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL19079810 0.68 SLC6A3 (0.37) HSD17B10MAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9242569 0.67 NPSR1 (0.46) NPSR1TSHRCA1CA2CA12
SCHEMBL11755388 0.67 NPSR1 (0.46) NPSR1TSHRCA1CA2CA12
SCHEMBL5607056 0.67 NPSR1 (0.46) NPSR1TSHRCA1CA2CA12
SCHEMBL9063074 0.67 NPSR1 (0.46) NPSR1TSHRCA1CA2CA12
SCHEMBL498036 0.67
SCHEMBL11755378 0.67 NPSR1 (0.46) NPSR1TSHRCA1CA2CA12
SCHEMBL18855912 0.64 HPGD (0.34) NPSR1TSHRCA1CA2CA12
SCHEMBL498203 0.63
SCHEMBL2131145 0.63 SLC6A3 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582578-A Method for the electrochemical conversion of a quadricyclane to a norbornadiene REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1986-04-15 US claimed
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO disclosed
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-9315604-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-19 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 US disclosed
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-06 US disclosed
US-20140309388-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-16 US disclosed
WO-2014169014-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-16 WO disclosed
US-8546500-B2 Complexes for use in metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-01 US disclosed
US-20120302710-A1 COMPLEXES FOR USE IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-29 US disclosed
US-6569600-B2 Optical apparatus comprising binders, sensitizers and reactants capable of undergoing rearrangements when exposed to actinic radiation causing optical changes such as refractive index EASTMAN KODAK COMPANY 2003-05-27 US disclosed
US-20030072250-A1 When exposed to actinic radiation produces a change in optical properties in the exposed region, contains a binder, a reactant capable of undergoing a transformation upon an electrone oxidation, and a sensitizer EASTMAN KODAK COMPANY 2003-04-17 US disclosed
EP-1246179-A2 Optical recording material EASTMAN KODAK COMPANY (US) 2002-10-02 EP disclosed
US-5081088-A Preparing propylene polymers BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 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 (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-20120302710-A1 COMPLEXES FOR USE IN METATHESIS REACTIONS APEX1, SOD1, PMS2 NPSR1 2186/4885TSHR 4265/4885CA1 471/4885
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MSRB3, MMAB, CYB5R3 NPSR1 1942/4885TSHR 2953/4885CA1 2956/4885
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF TERT, CYP19A1, MPO NPSR1 2571/4885TSHR 4706/4885CA1 132/4885

“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.