SCHEMBL21729414

SCHEMBL21729414

Cc1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.44
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
MAPT P10636 1/20 0.36
NOTUM Q6P988 1/20 0.36
CES2 O00748 1/20 0.35
XPO1 O14980 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
IKBKB O14920 1/20 0.33
IDO1 P14902 2/20 0.32
P2RX1 P51575 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
IDH1 O75874 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KIF11 P52732 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
SCHEMBL25968108 0.98 RAPGEF4 (0.43) RAPGEF4PGK1PGK2MAPTNOTUM
SCHEMBL19668955 0.98 RAPGEF4 (0.43) RAPGEF4PGK1PGK2MAPTNOTUM
SCHEMBL19645280 0.98 RAPGEF4 (0.41) RAPGEF4PGK1PGK2MAPTNOTUM
SCHEMBL26745203 0.96 RAPGEF4 (0.40) RAPGEF4PGK1PGK2MAPTNOTUM
SCHEMBL22105646 0.89 TAS2R14 (0.40) RAPGEF4PGK1PGK2TAS2R14IDO1
SCHEMBL41567 0.86 CES2 (0.44) RAPGEF4MAPTCES2XPO1IDO1
SCHEMBL25633935 0.85 TAS2R14 (0.40) RAPGEF4PGK1PGK2TAS2R14IDO1
SCHEMBL30509222 0.84 CES2 (0.39) RAPGEF4MAPTCES2XPO1IKBKB
SCHEMBL1451136 0.84 CES2 (0.42) RAPGEF4MAPTCES2XPO1IDO1
SCHEMBL5460964 0.84 CES2 (0.42) RAPGEF4MAPTCES2XPO1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230352250-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION MODULE, ELECTRONIC DEVICE, AND POWER SUPPLY MODULE RICOH COMPANY, LTD. (JP) 2023-11-02 US disclosed
US-11782014-B2 Internal electrolyte layer comprising carbon paste for potentiometric ion selective electrode SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2023-10-10 US disclosed
US-11567404-B2 Lithographic printing plate precursor, method for making lithographic printing plate, organic polymer particle, and photosensitive resin composition FUJIFILM CORPORATION (JP) 2023-01-31 US disclosed
US-20210395282-A1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND GLACEUM, INC. (KR) 2021-12-23 US disclosed
US-20210206788-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS VERBIO SE (DE) 2021-07-08 US disclosed
US-20210181631-A1 PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE, PLANOGRAPHIC PRINTING METHOD, AND CURABLE COMPOSITION FUJIFILM CORPORATION (JP) 2021-06-17 US disclosed
US-20200166839-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, RESIN COMPOSITION FOR PRODUCING LITHOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2020-05-28 US disclosed
US-20200110336-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR MAKING LITHOGRAPHIC PRINTING PLATE, ORGANIC POLYMER PARTICLE, AND PHOTOSENSITIVE RESIN COMPOSITION FUJIFILM CORPORATION (JP) 2020-04-09 US disclosed
US-20200057017-A1 INTERNAL ELECTROLYTE LAYER COMPRISING CARBON PASTE FOR POTENTIOMETRIC ION SELECTIVE ELECTRODE SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2020-02-20 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 (2 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-20210395282-A1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND INF2, DCX, HDHD5 RAPGEF4 2274/4885PGK1 3967/4885PGK2 3597/4885
US-20210206788-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS NOX5, AOC2, AOC3 RAPGEF4 2804/4885PGK1 4616/4885PGK2 4585/4885

“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.