SCHEMBL166877

SCHEMBL166877

O=C(O)CCc1cccc2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
MTNR1A P48039 6/20 0.49
FAAH O00519 1/20 0.46
PARP1 P09874 1/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
ALKBH1 Q13686 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EED O75530 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3430852 0.89 MTNR1A (0.62) KDM4CMTNR1APTGER1PTGER4PTGER3
SCHEMBL9160573 0.88 MTNR1A (0.56) KDM4CMTNR1AFAAHMAPT
SCHEMBL28567024 0.85 MTNR1A (0.48) KDM4CMTNR1AFAAHALKBH1ALDH1A1
SCHEMBL9251696 0.85 MTNR1A (0.51) KDM4CMTNR1AFAAHALKBH1ALDH1A1
SCHEMBL3402977 0.83 KDM4C (0.50) KDM4CMTNR1AFAAHALKBH1ALDH1A1
SCHEMBL8946082 0.81 PTGER1 (0.46) MTNR1APARP1PTGER1PTGER4PTGER3
SCHEMBL11957288 0.80 MTNR1A (0.52) KDM4CMTNR1AFAAHALDH1A1MEN1
SCHEMBL6649870 0.80 MTNR1A (0.71) MTNR1AMEN1KMT2AMAPK1KDM4E
SCHEMBL4130192 0.79 KDM4C (0.46) KDM4CMTNR1AFAAHALDH1A1EED
SCHEMBL7771835 0.79 KDM4C (0.46) KDM4CMTNR1AFAAHALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
CN-103183660-A Chromane derivative used as TRPV3 (transient receptor potential vanilloid 3) conditioning agent GLENMARK PHARMACEUTICALS SA 2013-07-03 CN disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
CN-102459179-A Pyridinone antagonists of alpha-4 integrins ELAN PHARM INC 2012-05-16 CN disclosed
EP-2424841-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS Elan Pharmaceuticals Inc. (US) 2012-03-07 EP disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
WO-2010126914-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126914-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 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-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 KDM4C 3874/4885MTNR1A 187/4885FAAH 1303/4885
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 KDM4C 671/4885MTNR1A 163/4885FAAH 4804/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 KDM4C 671/4885MTNR1A 163/4885FAAH 4804/4885

“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.