SCHEMBL3019968

SCHEMBL3019968

Cc1cc(C)c(CCCc2ccccc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
HTR2A P28223 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL2722493 0.89 L3MBTL1 (0.49) NOS3NOS1NOS2L3MBTL1MAPT
SCHEMBL2351932 0.87 NOS3 (0.56) NOS3NOS1NOS2L3MBTL1HTR2A
P-Xylene SCHEMBL20836571 0.80 HTR2A (0.56) NOS3NOS1NOS2L3MBTL1HTR2A
SCHEMBL6546810 0.79 RAB9A (0.50) NOS3NOS1NOS2L3MBTL1HTR2A
SCHEMBL7819859 0.78 CALM1 (0.48) L3MBTL1KDM4E
SCHEMBL10930288 0.78 MAOA (0.52) NOS3NOS1NOS2L3MBTL1HTR2A
SCHEMBL3689999 0.78 MAOA (0.52) NOS3NOS1NOS2L3MBTL1HTR2A
SCHEMBL2356590 0.78 HTR2A (0.60) L3MBTL1HTR2APOLBSIGMAR1
SCHEMBL28385202 0.78 PTGS1 (0.56) NOS3NOS1NOS2HTR2ANPC1
SCHEMBL31500446 0.77 TAAR1 (0.61) NOS3NOS1NOS2HTR2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158233-B1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORP (US) 2018-10-31 EP claimed
US-20130210995-A1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2013-08-15 US claimed
US-20100184941-A1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2010-07-22 US claimed
EP-2158233-A2 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION Albermarle Corporation (US) 2010-03-03 EP claimed
WO-2008154454-A2 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2008-12-18 WO claimed
EP-2158233-B1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORP (US) 2018-10-31 EP disclosed
US-8822743-B2 Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers, and their preparation ALBEMARLE CORPORATION (US) 2014-09-02 US disclosed
US-20130210995-A1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2013-08-15 US disclosed
US-8420876-B2 Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers, and their preparation ALBEMARLE CORPORATION (US) 2013-04-16 US disclosed
US-20100184941-A1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2010-07-22 US disclosed
EP-2158233-A2 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION Albermarle Corporation (US) 2010-03-03 EP disclosed
WO-2008154454-A2 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2008-12-18 WO disclosed
US-6033529-A Separation of mesitylene from 4-ethyl toluene by azeotropic distillation BERG LLOYD (US) 2000-03-07 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-20100184941-A1 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION PCNA, OGG1, DDB1 NOS3 3047/4885NOS1 3521/4885NOS2 3236/4885

“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.