SCHEMBL7635976

SCHEMBL7635976

CC(C)OC(=O)C1C(C)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL6437625 0.78 TSHR (0.41) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL11794957 0.75 LMNA (0.31) LMNA
SCHEMBL1150671 0.75 LMNA (0.39) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL1150665 0.75 LMNA (0.39) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL1150668 0.75 LMNA (0.39) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL2128973 0.75 TSHR (0.38) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL3690514 0.74 LMNA (0.38) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL15977337 0.74 TSHR (0.37) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL3690512 0.74 LMNA (0.38) TSHRLMNAALDH1A1KDM4EUSP2
SCHEMBL7638802 0.73 ATM (0.40) TSHRLMNAALDH1A1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247725-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-9493799-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-15 US disclosed
US-9487471-B1 Synthesis of pyrethroids and pyrethroid-containing compositions PROVIVI, INC. (US) 2016-11-08 US disclosed
US-20160032330-A1 P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-02-04 US disclosed
US-20160002682-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES UNITED STATES DEPARTMENT OF ENERGY 2016-01-07 US disclosed
US-8993262-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-31 US disclosed
US-20140242647-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed
US-6469198-B2 OBTAINED BY CONTACTING N-SALICYLIDENEAMINOALCOHOL WITH MONO OR DIVALENT COPPER COMPOUND; FORMATION OF OPTICALLY ACTIVE CYCLOPROPANE-CARBOXYLIC ESTER FROM PROCHIRAL OLEFIN AND DIAZOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-01 US disclosed
EP-1120401-A2 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 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-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same AP1M1, UBA3, AP1S1 TSHR 4320/4885LMNA 4316/4885ALDH1A1 254/4885

“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.