SCHEMBL803215

SCHEMBL803215

CCc1ccc2cc(CC)ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.53
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
RIOK2 Q9BVS4 1/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 1/20 0.37
TRPA1 O75762 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ABL1 P00519 1/20 0.34
DAO P14920 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL18899968 0.81 CYP1A2 (0.53) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL10272520 0.79 CYP2A6 (0.42) CYP2A6NOS1NPC1RAB9APDE10A
SCHEMBL10272932 0.79 CYP2A6 (0.42) CYP1A2CYP2A6NOS1SMN1; SMN2CYP2D6
SCHEMBL347592 0.78 CYP2A6 (0.80) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL29407167 0.78 CYP2A6 (0.80) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL20411983 0.78 PDE10A (0.40) CYP1A2CYP2A6NPC1RAB9APDE10A
SCHEMBL25015122 0.78 CYP1A2 (0.46) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL18122892 0.77 PDE10A (0.41) CYP1A2AKR1C3AKR1C2CYP2D6PDE10A
SCHEMBL19203639 0.77 RAB9A (0.34) CYP1A2NPC1RAB9ACYP2D6PDE10A
SCHEMBL17919945 0.77 CYP1A2 (0.48) CYP1A2CYP2A6AKR1C3AKR1C2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-20240067879-A1 Liquid-crystal medium 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-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-20230340328-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 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
US-20130037745-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-14 US disclosed
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20120032112-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-02-09 US disclosed
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-27 US disclosed
US-20110255048-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
US-20110095229-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-28 US disclosed
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT (DE) 2010-10-28 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 (7 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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG CYP1A2 2695/4885CYP2A6 3149/4885AKR1C3 1984/4885
US-20110255048-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN CYP1A2 4285/4885CYP2A6 3852/4885AKR1C3 3538/4885
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 CYP1A2 3864/4885CYP2A6 3461/4885AKR1C3 3619/4885
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN CYP1A2 3620/4885CYP2A6 3110/4885AKR1C3 2930/4885
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, VCL, MAP1LC3C CYP1A2 4181/4885CYP2A6 4088/4885AKR1C3 4105/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL CYP1A2 4166/4885CYP2A6 4097/4885AKR1C3 4148/4885
US-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 CYP1A2 3899/4885CYP2A6 3684/4885AKR1C3 3318/4885

“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.