SCHEMBL3020929

SCHEMBL3020929

Cc1ccccc1CC(CC(CC(CCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
CYP19A1 P11511 2/20 0.40
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP3 P15309 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DRD4 P21917 1/20 0.36
F2 P00734 1/20 0.36
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
SCN4A P35499 1/20 0.34

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
SCHEMBL3009091 0.98 SLC6A2 (0.40) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL3015701 0.91 CYP19A1 (0.45) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL1538484 0.83 CYP19A1 (0.50) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL3020930 0.82 ALDH1A1 (0.41) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL1539110 0.82 CYP19A1 (0.51) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL4895660 0.81 TRPA1 (0.46) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL4902969 0.81 TRPA1 (0.46) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL21164200 0.81 TRPA1 (0.46) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL3009093 0.80 ALDH1A1 (0.42) SLC6A2SLC6A4CYP19A1SLC6A3KCNH2
SCHEMBL11269067 0.79 TRPA1 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4

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-8822743-B2 Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers, and their preparation ALBEMARLE CORPORATION (US) 2014-09-02 US 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
CN-101687947-B Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers and their preparation ALBEMARLE CORP 2012-10-03 CN 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
CN-101687947-A Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers and their preparation ALBEMARLE CORP 2010-03-31 CN 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
CN-101687947-B Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers and their preparation ALBEMARLE CORP 2012-10-03 CN 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
CN-101687947-A Adducts, adducts and oligomers, or adducts, oligomers and low molecular weight polymers and their preparation ALBEMARLE CORP 2010-03-31 CN 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 SLC6A2 4641/4885SLC6A4 4306/4885CYP19A1 2168/4885

“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.