SCHEMBL2090100

SCHEMBL2090100

Cc1ccc2c(c1)cc(C)c1c3ccc(C)cc3ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
CYP1A2 P05177 8/20 0.50
CYP2A6 P11509 6/20 0.48
TDP1 Q9NUW8 2/20 0.41
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NCK1 P16333 1/20 0.34
BACE1 P56817 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 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
SCHEMBL607927 0.82 CYP1A2 (0.71) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL599036 0.81 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL597341 0.79 CYP1A2 (0.67) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL30286397 0.79 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP1A2CYP2A6
SCHEMBL597682 0.79 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP1A2CYP2A6
SCHEMBL29518590 0.76 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL598308 0.75 CYP1A2 (0.60) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL28589147 0.75 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL597732 0.73 CYP1A2 (0.70) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL26330826 0.73 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10LMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110064892-A1 Polycyclic Organic Compounds, Retardation Layer and Compensation Panel on Their Base CRYSOPTIX KK 2011-03-17 US disclosed
EP-2260036-A2 POLYCYCLIC ORGANIC COMPOUNDS, RETARDATION LAYER AND COMPENSATION PANEL ON THEIR BASE CRYSOPTIX K.K. (JP) 2010-12-15 EP disclosed
WO-2009109782-A2 POLYCYCLIC ORGANIC COMPOUNDS, RETARDATION LAYER AND COMPENSATION PANEL ON THEIR BASE CRYSOPTIX K.K. (JP) 2009-09-11 WO 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-20110064892-A1 Polycyclic Organic Compounds, Retardation Layer and Compensation Panel on Their Base MCM3, CCNA2, CCNB2 ALDH1A1 4124/4885HPGD 4655/4885HSD17B10 4657/4885

“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.