SCHEMBL4567633

SCHEMBL4567633

C=CCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.39
GABRB2 P47870 5/20 0.39
CNR2 P34972 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
CNR1 P21554 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 5/20 0.38
POLB P06746 1/20 0.38
GABRB1 P18505 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
SCHEMBL12997535 1.00 GABRA1 (0.39) GABRA1GABRB2CNR2MAPTALDH1A1
SCHEMBL10448623 0.88 ALDH1A1 (0.38) GABRA1GABRB2CNR2MAPTALDH1A1
SCHEMBL13412036 0.84 TAAR1 (0.36) KIF11CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL10024823 0.84 KIF11 (0.39) GABRA1GABRB2CNR2MAPTALDH1A1
SCHEMBL13239275 0.84 TAAR1 (0.36) KIF11CYP3A4CYP17A1CYP11B1CYP11B2
SCHEMBL24125046 0.84 KIF11 (0.39) GABRA1GABRB2CNR2MAPTALDH1A1
SCHEMBL12624960 0.84 ALOX5AP (0.35) GABRA1GABRB2CNR2ALDH1A1ALOX5
SCHEMBL12625709 0.84 ALOX5AP (0.33) GABRA1GABRB2CNR2MAPTALDH1A1
SCHEMBL18193783 0.82 ALDH1A1 (0.37) GABRA1GABRB2CNR2MAPTALDH1A1
SCHEMBL24125045 0.82 RARB (0.43) GABRA1GABRB2CNR2MAPTALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-10174254-B2 Nematic liquid crystal composition and liquid crystal display element using the same DIC CORPORATION (JP) 2019-01-08 US disclosed
US-20180155625-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2018-06-07 US disclosed
US-20180105748-A1 LIQUID-CRYSTALLINE MEDIUM, COMPOUNDS, AND HIGH-FREQUENCY COMPONENTS MERCK PATENT GMBH (DE) 2018-04-19 US disclosed
US-20180002603-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
US-20170349832-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-12-07 US disclosed
US-20170204332-A1 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-07-20 US disclosed
US-9657231-B2 Liquid crystal medium and high-frequency components containing the same MERCK PATENT GMBH (DE) 2017-05-23 US disclosed
US-20170137713-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170130129-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9593279-B2 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20120119141-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-05-17 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 (4 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 GABRA1 3522/4885GABRB2 3688/4885CNR2 721/4885
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 GABRA1 4424/4885GABRB2 4390/4885CNR2 1489/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 GABRA1 4814/4885GABRB2 4756/4885CNR2 1996/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 GABRA1 3515/4885GABRB2 3537/4885CNR2 987/4885

“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.