SCHEMBL172260

SCHEMBL172260

Cc1ccc2c(ccc3c(F)c(C)ccc32)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
ACHE P22303 3/20 0.35
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AR P10275 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL15496486 0.97 CYP1A2 (0.40) CYP1A2ACHEHPGDALDH1A1TSHR
SCHEMBL13039532 0.82 TUBB1 (0.40) ACHEHPGDALDH1A1TSHRHSD17B10
SCHEMBL30064 0.79 ACHE (0.42) CYP1A2ACHEHPGDALDH1A1TSHR
SCHEMBL15496494 0.78 ERN1 (0.31) ACHE
SCHEMBL23557604 0.76 IMPDH2 (0.40) CYP1A2ALDH1A1ARCYP3A4KDM4E
SCHEMBL23665424 0.75
SCHEMBL23665586 0.75 ESR1 (0.33)
SCHEMBL15061919 0.73 NOS2 (0.45) CCR1CCR5CCR8KDM4E
SCHEMBL15724649 0.73 CYP1A2 (0.43) CYP1A2HPGDALDH1A1TSHRHSD17B10
SCHEMBL15496487 0.73 ACHE (0.31) ACHEHPGDALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
EP-2199362-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 WO disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 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 (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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 CYP1A2 2458/4885ACHE 1877/4885HPGD 4831/4885
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 CYP1A2 3108/4885ACHE 1365/4885HPGD 3765/4885

“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.