SCHEMBL10064796

SCHEMBL10064796

CC(C)(C)c1ccc(F)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
SCD O00767 1/20 0.47
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KIF11 P52732 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL11989284 0.85 APP (0.51) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10064808 0.85 GCGR (0.46) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10064836 0.83 APP (0.50) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10064797 0.83 SCD (0.43) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10064839 0.83 TSHR (0.50) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10064834 0.83 FFAR4 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1874309 0.82 KIF11 (0.54) ALDH1A1KIF11APPACLYFFAR4
SCHEMBL10064824 0.82 NPC1 (0.53) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10064798 0.82 AKR1C3 (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL26004981 0.82 ALDH1A1 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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 (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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 NPC1 162/4885ALDH1A1 1730/4885PLA2G1B 2739/4885
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 NPC1 717/4885ALDH1A1 70/4885PLA2G1B 2557/4885

“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.