SCHEMBL91996

SCHEMBL91996

Cc1ccc(-c2ccc(-c3cc(F)c(N=C=S)c(F)c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RPS6KA3 P51812 3/20 0.35
NAAA Q02083 5/20 0.34
PTGS2 P35354 3/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDK2 Q15119 1/20 0.32
PTGS1 P23219 1/20 0.32
AR P10275 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL14586541 0.89 NAAA (0.35) RPS6KA3NAAAPTGS2CYP1A2MAPT
SCHEMBL91882 0.89 NAAA (0.35) RPS6KA3NAAAPTGS2CYP1A2MAPT
SCHEMBL21387146 0.88 RPS6KA3 (0.40) PDE3BPDE3ARPS6KA3NAAAPTGS2
SCHEMBL4567615 0.88 RPS6KA3 (0.40) PDE3BPDE3ARPS6KA3NAAAPTGS2
SCHEMBL18553086 0.87 PTGS2 (0.33) PDE3BPDE3ARPS6KA3NAAAPTGS2
SCHEMBL18553085 0.87 PTGS2 (0.33) PDE3BPDE3ARPS6KA3NAAAPTGS2
SCHEMBL22416048 0.87 NAAA (0.34) PDE3BPDE3ARPS6KA3NAAACYP1A2
SCHEMBL24538330 0.85 NAAA (0.32) NAAA
SCHEMBL22108968 0.85 NAAA (0.32) NAAA
SCHEMBL21396278 0.85 ESR1 (0.41) PDE3BPDE3ARPS6KA3CYP2C19

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 60 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-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-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-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
WO-2023117724-A1 ISOTHIOCYANATOETHYNYLBENZENE DERIVATIVES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
WO-2022128845-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20120012785-A1 Liquid Crystal System And Liquid Crystal Display SCHOTT CECILE (TW) 2012-01-19 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20100258763-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY SCHOTT CECILE 2010-10-14 US disclosed
US-7794621-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2010-09-14 US disclosed
US-20090267025-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-29 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 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 PDE3B 3262/4885PDE3A 3309/4885RPS6KA3 3702/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 PDE3B 2844/4885PDE3A 2933/4885RPS6KA3 4105/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK PDE3B 1399/4885PDE3A 1918/4885RPS6KA3 4193/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 PDE3B 3060/4885PDE3A 3325/4885RPS6KA3 3830/4885

“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.