SCHEMBL716489

SCHEMBL716489

O=C(c1ccccc1F)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
EPHX2 P34913 1/20 0.49
HSD11B1 P28845 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
MGLL Q99685 1/20 0.47
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PPIA P62937 1/20 0.43
PTPN1 P18031 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4006843 0.98 CES2 (0.52) CES2CES1EPHX2HSD11B1KMT2A
SCHEMBL29990216 0.98 CES2 (0.52) CES2CES1EPHX2HSD11B1KMT2A
SCHEMBL717435 0.94 CES2 (0.52) CES2CES1EPHX2HSD11B1KMT2A
SCHEMBL29591363 0.90 CES2 (0.56) CES2CES1EPHX2HSD11B1KMT2A
SCHEMBL718095 0.90 CES2 (0.56) CES2CES1EPHX2HSD11B1KMT2A
SCHEMBL16861843 0.82 CES2 (0.47) CES2CES1HSD11B1KMT2AMAPT
SCHEMBL9851969 0.82 HTR3E (0.55) CES2CES1HSD11B1KMT2AMEN1
Hydrochloric Acid SCHEMBL10395823 0.81 HTR3E (0.54) CES2CES1HSD11B1KMT2AMEN1
SCHEMBL6661943 0.80 HSD11B1 (0.55) EPHX2HSD11B1KMT2AALDH1A1MGLL
SCHEMBL23536765 0.79 KMT2A (0.49) CES2CES1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102020726-B Macromolecule difunctional group alpha-hydroxy-ketone photoinitiator and preparation method thereof NEWSUN CO LTD 2012-07-11 CN claimed
CN-102020726-A Macromolecule difunctional group alpha-hydroxy-ketone photoinitiator and preparation method thereof CHANGSHA XINYU HIGH POLYMER TECHNOLOGY CO LTD 2011-04-20 CN claimed
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
EP-2094673-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2015-04-08 EP disclosed
EP-2094673-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2015-04-08 EP disclosed
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US disclosed
US-8461191-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8461191-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8461191-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
WO-2008060569-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-05-22 WO disclosed
WO-2008060569-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-05-22 WO disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US disclosed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 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 (5 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885EPHX2 2757/4885
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 CES2 3976/4885CES1 4300/4885EPHX2 3719/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885EPHX2 2757/4885
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 CES2 3976/4885CES1 4300/4885EPHX2 3719/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885EPHX2 2757/4885

“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.