SCHEMBL4438458

SCHEMBL4438458

CC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
FASN P49327 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ANPEP P15144 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
APP P05067 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CTSC P53634 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
RPS6KA3 P51812 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
P2RY14 Q15391 1/20 0.30
FFAR1 O14842 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
SCHEMBL4434770 0.95 ESR2 (0.50) ESR2FASNNPC1RAB9AANPEP
SCHEMBL9763893 0.95 ESR2 (0.50) ESR2FASNNPC1RAB9AANPEP
SCHEMBL18385879 0.92 NPC1 (0.39) ESR2NPC1RAB9AANPEPCYP3A4
SCHEMBL18385877 0.92 NPC1 (0.39) ESR2NPC1RAB9AANPEPCYP3A4
SCHEMBL20749303 0.91 ESR2 (0.41) ESR2FASNNPC1RAB9AHSD11B1
SCHEMBL18855119 0.90 ESR2 (0.41) ESR2FASNNPC1RAB9AHSD11B1
SCHEMBL12574581 0.89 ESR2 (0.45) ESR2FASNNPC1RAB9AHSD11B1
SCHEMBL19493538 0.89 ESR2 (0.45) ESR2FASNNPC1RAB9AANPEP
SCHEMBL19019350 0.88 ESR2 (0.44) ESR2FASNNPC1RAB9AHSD11B1
SCHEMBL14064159 0.88 ESR2 (0.46) ESR2FASNNPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO 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
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 EP disclosed
EP-3980510-B1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-11-08 EP disclosed
EP-3679111-B1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-11-01 EP disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-7303791-B2 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices MERCK PATENT GMBH (DE) 2007-12-04 US disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20070237907-A1 PHOTOSTABLE LIQUID-CRYSTALLINE MEDIUM MANABE ATSUTAKA 2007-10-11 US disclosed
US-7250198-B2 For electrooptical display MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
US-20070104895-A1 LIQUID CRYSTAL OPTICAL MODULATION ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 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 (1 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 ESR2 3395/4885FASN 4428/4885NPC1 1056/4885

“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.