SCHEMBL803417

SCHEMBL803417

CCc1cnc2cc(CC)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PARP1 P09874 1/20 0.41
ELANE P08246 1/20 0.40
MAOB P27338 3/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TRPA1 O75762 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL22134831 0.86 CYP1A2 (0.42) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL16541640 0.86 NPC1 (0.49) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL23906417 0.85 CYP1A2 (0.53) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL21622433 0.85 PDE10A (0.50) CYP1A2CYP2A6PARP1MAOBALDH1A1
SCHEMBL31716529 0.84 GAA (0.49) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL6172988 0.83 CYP1A2 (0.46) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL31716236 0.83 CYP1A2 (0.41) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL29471062 0.83 CYP1A2 (0.46) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL23171511 0.83 PDGFRB (0.47) CYP1A2CYP2A6PDGFRBPDGFRAPARP1
SCHEMBL12507578 0.83 PDGFRB (0.50) CYP1A2CYP2A6SMN1; SMN2PDGFRBPDGFRA

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 162 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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 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-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 3149/4885NPC1 3317/4885
US-20110255048-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN CYP1A2 4285/4885CYP2A6 3852/4885NPC1 3791/4885
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 CYP1A2 3864/4885CYP2A6 3461/4885NPC1 4177/4885
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN CYP1A2 3620/4885CYP2A6 3110/4885NPC1 3067/4885
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, VCL, MAP1LC3C CYP1A2 4181/4885CYP2A6 4088/4885NPC1 4405/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL CYP1A2 4166/4885CYP2A6 4097/4885NPC1 4368/4885
US-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 CYP1A2 3899/4885CYP2A6 3684/4885NPC1 4142/4885

“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.