SCHEMBL1249690

SCHEMBL1249690

Fc1ccc2c(c1F)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.42
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 1/20 0.35
METAP2 P50579 1/20 0.33
NOTUM Q6P988 1/20 0.33
SOS1 Q07889 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 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
SCHEMBL4756408 0.98 CES1 (0.41) CES1BCL2L1BADHTR2CHTR2A
SCHEMBL30641567 0.85 NOTUM (0.41) CES1HTR2CHTR2AHTR2BNOTUM
SCHEMBL24556384 0.79 CES1 (0.41) CES1BCL2L1BADNOS3NOS1
SCHEMBL21051968 0.77 BCL2L1 (0.47) CES1BCL2L1BADHTR2CHTR2A
SCHEMBL15054072 0.77 BCL2L1 (0.52) CES1BCL2L1BADNOS3NOS1
SCHEMBL16526994 0.77 CES1 (0.40) CES1BCL2L1BADNOS3NOS1
SCHEMBL23987538 0.77 CES1 (0.40) CES1BCL2L1BADHTR2CHTR2A
SCHEMBL1278375 0.76 BCL2L1 (0.52) CES1BCL2L1BADNOS3NOS1
SCHEMBL16527062 0.76 BCL2L1 (0.50) CES1BCL2L1BADNOS3NOS1
SCHEMBL20244672 0.74 CES1 (0.37) CES1BCL2L1BADHTR2CNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206443-B Aromatic or heteroaromatic ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-02-09 CN disclosed
US-20230276692-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-31 US disclosed
US-20230276693-A1 LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND MIXTURE SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-31 US disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 EP disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-1640433-B1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-08-25 EP disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
US-20060163536-A1 Chroman dervative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1640433-A1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND Dainippon Ink and Chemicals, Incorporated (JP) 2006-03-29 EP disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 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 (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-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same NOC2L, SNX2, NEFM CES1 1534/4885BCL2L1 1380/4885BAD 4028/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CES1 4775/4885BCL2L1 1896/4885BAD 976/4885

“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.