SCHEMBL2665686

SCHEMBL2665686

Bc1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.42
NOTUM Q6P988 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
IDH1 O75874 1/20 0.37
XPO1 O14980 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.33
CES2 O00748 1/20 0.33
NFE2L2 Q16236 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL130017 0.82 RAPGEF4 (0.50) RAPGEF4NOTUMPGK1PGK2IDH1
SCHEMBL19270461 0.82 CES2 (0.40) RAPGEF4XPO1MAPTCES2
SCHEMBL107119 0.82 RAPGEF4 (0.56) RAPGEF4NOTUMPGK1PGK2IDH1
SCHEMBL3684529 0.82 CES2 (0.46) RAPGEF4XPO1MAPTCES2HDAC3
Water SCHEMBL27788452 0.79 CES2 (0.44) RAPGEF4XPO1MAPTCES2HDAC3
SCHEMBL28802521 0.79 CES2 (0.44) RAPGEF4XPO1MAPTCES2HDAC3
SCHEMBL29136201 0.79 CES2 (0.44) RAPGEF4XPO1MAPTCES2HDAC3
SCHEMBL17796960 0.78 POLB (0.41) PGK1PGK2MAPT
SCHEMBL13450015 0.76 KIF11 (0.44) RAPGEF4XPO1TAS2R14MAPTKIF11
SCHEMBL12086474 0.73 RXRA (0.36) CES2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021230512-A1 BENZAZOLE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-11-18 WO disclosed
US-9334373-B2 Fire retardant materials and devices including same THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2016-05-10 US disclosed
US-20110124831-A1 SELF-ASSEMBLED OLEFIN POLYMERIZATION CATALYST AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-05-26 US disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 EP disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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 (1 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-20110124831-A1 SELF-ASSEMBLED OLEFIN POLYMERIZATION CATALYST MLX, KCNN4, LPXN RAPGEF4 1120/4885NOTUM 3306/4885PGK1 4545/4885

“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.