SCHEMBL45891

SCHEMBL45891

O=C1OC(=O)[C@@H]2CCCCC12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
PPM1B O75688 1/20 0.42
LMNA P02545 1/20 0.42
PPP1CC P36873 1/20 0.42
TFPI2 P48307 1/20 0.42
RAB9A P51151 1/20 0.42
PPP5C P53041 1/20 0.42
PPP1CA P62136 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
STS P08842 3/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
FNTA P49354 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
SCHEMBL598374 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL45910 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL15324 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL6237465 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL38660910 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL34170 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL24453322 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL20963086 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL20963058 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL16020384 0.97 STS (0.40) KDM4EGMNNPPM1BLMNAPPP1CC

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724256-B1 POLYMERIC POLYOXAZOLINES PPG IND OHIO INC (US) 2022-06-08 EP disclosed
EP-2596805-B1 Prodrug comprising a drug-linker conjugate ASCENDIS PHARMA AS (DK) 2021-10-27 EP disclosed
US-20190040191-A1 RECYCLABLE POLYMERS BASED ON RING-FUSED GAMMA-BUTYROLACTONES NATIONAL SCIENCE FOUNDATION 2019-02-07 US disclosed
EP-2978313-B1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS UNITED THERAPEUTICS CORP (US) 2018-02-21 EP disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate ASCENDIS PHARMA A/S (DK) 2017-04-13 US disclosed
US-9464184-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2016-10-11 US disclosed
US-9359488-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties and methods THE COCA-COLA COMPANY (US) 2016-06-07 US disclosed
US-20150232641-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2015-08-20 US disclosed
US-20140288314-A1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS UNITED THERAPEUTICS CORPORATION (US) 2014-09-25 US disclosed
US-20140288314-A1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS UNITED THERAPEUTICS CORPORATION (US) 2014-09-25 US disclosed
US-20140212611-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2014-07-31 US disclosed
US-20140154446-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2014-06-05 US disclosed
EP-2596805-A1 Prodrug comprising a drug linker conjugate Ascendis Pharma A/S (DK) 2013-05-29 EP disclosed
US-20120121837-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2012-05-17 US disclosed
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2011-03-03 US disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed
WO-2009023201-A1 RIGID DERIVATIVES OF TRIPTOLIDE AS ANTICANCER, IMMUNE SUPPRESSANT, ANTI-FIBROSIS, AND CNS PROTECTANT AGENTS MYELORX LLC (US) 2009-02-19 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 (4 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC KDM4E 3963/4885GMNN 3067/4885PPM1B 364/4885
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate H1-0, H1-3, H1-2 KDM4E 1446/4885GMNN 4370/4885PPM1B 4413/4885
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 KDM4E 1429/4885GMNN 4386/4885PPM1B 4413/4885
US-20140288314-A1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS PTGIS, PTGIR, PTGER1 KDM4E 4652/4885GMNN 886/4885PPM1B 3675/4885

“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.