SCHEMBL3015701

SCHEMBL3015701

Cc1ccccc1CC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ACP3 P15309 1/20 0.40
DRD4 P21917 1/20 0.39
F2 P00734 1/20 0.39
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL3009091 0.92 SLC6A2 (0.40) CYP19A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3020929 0.91 SLC6A2 (0.40) CYP19A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3000165 0.81 CYP19A1 (0.50) CYP19A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8254812 0.81 CARM1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL8263713 0.80 HTR2A (0.53) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL9857086 0.80 HTR2A (0.53) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL14526719 0.80 HTR2A (0.53) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3015704 0.79 ALDH1A1 (0.45) CYP19A1ALDH1A1ACP3F2MTNR1A
SCHEMBL1538332 0.79 CYP19A1 (0.54) CYP19A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6547001 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATAAR1DRD4

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
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
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 CYP19A1 2168/4885SLC6A2 4641/4885SLC6A4 4306/4885

“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.