SCHEMBL435878

SCHEMBL435878

CC(C)(C)OC(=O)c1c(N)ccc2c1oc(=O)c1occc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 7/20 0.34
HPGD P15428 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HIF1A Q16665 1/20 0.34
GRM6 O15303 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A43 Q9HB55 1/20 0.33

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
SCHEMBL462386 0.80 ESR1 (0.38) ESR1ESR2MAOAMAOBKDM4E
SCHEMBL2730411 0.66 GRM6 (0.49) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL29130776 0.66 GRM6 (0.42) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL28198556 0.65 GRM6 (0.40) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL28697326 0.64 GRM6 (0.45) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL27503211 0.64 GRM6 (0.50) ESR1ESR2KDM4EHPGDALDH1A1
SCHEMBL434818 0.63 KDM4E (0.35) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL436676 0.62 GRM6 (0.40) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL29726626 0.62 MAPT (0.35) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL18329541 0.62 MAPT (0.35) KDM4EHPGDALDH1A1MEN1KMT2A

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-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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 (2 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 ESR1 3263/4885ESR2 2143/4885MAOA 179/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 ESR1 3263/4885ESR2 2143/4885MAOA 179/4885

“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.