SCHEMBL1040696

SCHEMBL1040696

O=C(Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.55
HSD11B1 P28845 1/20 0.54
PDPK1 O15530 2/20 0.54
PTPN1 P18031 2/20 0.53
GSK3B P49841 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLAU P00749 1/20 0.51
CNR2 P34972 1/20 0.51
SRD5A2 P31213 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
MAPK14 Q16539 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
DDR1 Q08345 1/20 0.47

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
SCHEMBL1515765 0.93 MAPT (0.61) PIK3CAHSD11B1PDPK1PTPN1GSK3B
SCHEMBL4847457 0.91 PTPN1 (0.63) PIK3CAHSD11B1PTPN1GSK3BNPC1
SCHEMBL7199268 0.84 MAPT (0.67) PTPN1GSK3BNPC1RAB9AMAPT
SCHEMBL3210296 0.84 TACR1 (0.55) HSD11B1MAPTL3MBTL1CNR2MEN1
SCHEMBL6339735 0.84 PTPN1 (0.56) PIK3CAHSD11B1PTPN1GSK3BNPC1
SCHEMBL5921849 0.84 PIK3CA (0.54) PIK3CAHSD11B1PTPN1GSK3BL3MBTL1
SCHEMBL8371456 0.84 PTPN1 (0.56) PIK3CAHSD11B1PTPN1GSK3BNPC1
SCHEMBL12441661 0.83 GSK3B (0.59) PIK3CAHSD11B1PTPN1GSK3BNPC1
SCHEMBL6755425 0.83 RAB9A (0.65) PIK3CAPTPN1GSK3BNPC1RAB9A
SCHEMBL658098 0.83 PDPK1 (0.67) HSD11B1PDPK1PTPN1GSK3BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113388646-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) ] phenethyl alcohol by catalysis of optical enzyme system 杭州师范大学 2022-10-21 CN disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
CN-1257153-C Novel propargylether derivatives SINGTENTA PARTICIPATION AG (CH) 2006-05-24 CN disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO disclosed
CN-1336912-A Novel propargylether derivatives SINGTENTA PARTICIPATION AG (CH) 2002-02-20 CN disclosed
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
US-4957934-A AROMATASE INHIBITORS, TREATMENT OF STEROID HORMONE DEPENDENT DISEASES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-18 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 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 (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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PIK3CA 2279/4885HSD11B1 3084/4885PDPK1 2042/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PIK3CA 2279/4885HSD11B1 3084/4885PDPK1 2042/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PIK3CA 2066/4885HSD11B1 2968/4885PDPK1 1792/4885

“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.