SCHEMBL91880

SCHEMBL91880

Cc1ccc(-c2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP2A6 P11509 1/20 0.52
KDM1A O60341 8/20 0.49
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
GRM2 Q14416 1/20 0.44
KIF11 P52732 2/20 0.44
CYP11B2 P19099 2/20 0.42
PTGS1 P23219 1/20 0.41
PDE9A O76083 1/20 0.41
NSD2 O96028 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL19608729 0.98 ALDH1A1 (0.50) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL16945915 0.92 KDM1A (0.45) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL91862 0.90 ALDH1A1 (0.53) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL91992 0.90 ALDH1A1 (0.53) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL28428605 0.89 ALDH1A1 (0.52) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL16604329 0.87 PDE3B (0.48) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL16945886 0.85 AR (0.48) ALDH1A1CYP2A6KDM1APDE3BPDE3A
SCHEMBL13967517 0.84 PTGS2 (0.46) KDM1APDE3BPDE3APTGS1
SCHEMBL13198901 0.84 PTGS2 (0.41) KDM1APDE3BPDE3APTGS1
SCHEMBL397141 0.83 KIF11 (0.61) PDE3BPDE3AKIF11CYP11B2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP disclosed
EP-3715347-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2020-09-30 EP disclosed
CN-111362805-A Method for synthesizing biphenyl compounds by taking phenol as raw material 遵义医科大学 2020-07-03 CN disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-20200181492-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2020-06-11 US disclosed
EP-3354652-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
WO-2019179962-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-09-26 WO disclosed
WO-2019030150-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2019-02-14 WO disclosed
WO-2019030153-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2019-02-14 WO 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-7482044-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-01-27 US disclosed
US-7445819-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-11-04 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-20080124492-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH 2008-05-29 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed
US-20070235688-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT 2007-10-11 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-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK ALDH1A1 2978/4885CYP2A6 2777/4885KDM1A 3592/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 ALDH1A1 1457/4885CYP2A6 3258/4885KDM1A 89/4885

“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.