SCHEMBL5649989

SCHEMBL5649989

CCC(C)C(C)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.37
PTGS1 P23219 1/20 0.37
CA4 P22748 1/20 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
SCHEMBL1453272 0.81 CA4 (0.48) LMNAMTNR1AMTNR1BCHRNB4CHRNA3
SCHEMBL19725374 0.81 LMNA (0.59) LMNAMTNR1AMTNR1BCHRNB2CHRNA7
SCHEMBL19725372 0.81 TRPA1 (0.48) LMNAMTNR1AMTNR1BTRPA1KDM4E
SCHEMBL19223071 0.79 TRPA1 (0.48) LMNAMTNR1AMTNR1BMAPTTRPA1
SCHEMBL19725376 0.79 LMNA (0.42) LMNAMTNR1AMTNR1BMAPTKDM4E
SCHEMBL19997571 0.77 OGG1 (0.49) MAPTKDM4ESLC6A4ALDH1A1
SCHEMBL257324 0.77 MTNR1A (0.52) LMNAMTNR1AMTNR1BMAPTKDM4E
SCHEMBL12550266 0.77 MTNR1A (0.52) LMNAMTNR1AMTNR1BMAPTKDM4E
SCHEMBL28121089 0.77 MTNR1A (0.52) LMNAMTNR1AMTNR1BMAPTKDM4E
SCHEMBL941113 0.77 CA4 (0.43) LMNAMTNR1AMTNR1BCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166029-A1 Compositions And Methods For Diagnosing Autism Spectrum Disorders LABORATORY CORPORATION OF AMERICA HOLDINGS 2011-07-07 US disclosed
US-20060216545-A1 Electroluminescent polymer having 9-fluoren-2-yl-2,7-fluorenyl unit and electroluminescent device using same SK CORPORATION (KR) 2006-09-28 US disclosed
WO-2006101313-A1 ELECTROLUMINESCENT POLYMER HAVING 9-FLUOREN-2-YL-2,7-FLUORENYL UNITS AND THE ELECTROLUMINESCENT DEVICE PREPARED USING THE SAME SK CORPORATION (KR) 2006-09-28 WO disclosed
WO-2006062323-A1 ELECTROLUMINESCENT POLYMER HAVING 9-FLUOREN-2-YL-9-ARYL-2,7-FLUORENYL UNIT AND ELECTROLUMINESCENT DEVICE MANUFACTURED USING THE SAME SK CORPORATION (KR) 2006-06-15 WO disclosed
US-20060121314-A1 Electroluminescent polymer having 9-fluoren-2-yl-9-aryl-2,7-fluorenyl unit and electroluminescent device manufactured using the same SK CORPORATION (KR) 2006-06-08 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 (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-20110166029-A1 Compositions And Methods For Diagnosing Autism Spectrum Disorders INA, MECP2, ADCYAP1R1 LMNA 1202/4885MTNR1A 897/4885MTNR1B 1158/4885

“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.