SCHEMBL16245992

SCHEMBL16245992

Cc1ccc2c(c1)CC(C=O)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
METAP1 P53582 4/20 0.38
AADAT Q8N5Z0 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP10 Q53GL7 2/20 0.33
PARP11 Q9NR21 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PARP1 P09874 1/20 0.33
SRD5A1 P18405 1/20 0.33
CYP2A6 P11509 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32

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
SCHEMBL27392612 0.79
SCHEMBL24954520 0.76 LMNA (0.41) ALDH1A1PARP1
SCHEMBL1016019 0.76 PNMT (0.49) METAP1
SCHEMBL1016046 0.76 PNMT (0.41) METAP1AADATHTR2AHTR2CHTR2B
SCHEMBL1015335 0.76 PNMT (0.49) METAP1
SCHEMBL1016672 0.76 ACHE (0.41) ACHEPARP10PARP1HTR2AHTR2B
SCHEMBL14380007 0.76 DRD3 (0.46) ACHE
SCHEMBL1015336 0.76 PNMT (0.49) METAP1
SCHEMBL10225793 0.76 DRD2 (0.50) ACHEMETAP1
SCHEMBL10609048 0.76 ACHE (0.39) ACHEMETAP1AADATALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 US claimed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 US claimed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 US claimed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 EP claimed
CN-105189432-A Improvements in or relating to organic compounds GIVAUDAN SA 2015-12-23 CN claimed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 WO claimed
CN-113873884-B Arthropod control composition 弗门尼舍有限公司 2024-06-14 CN disclosed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 US disclosed
US-20180251706-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-09-06 US disclosed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 US disclosed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 US disclosed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 EP disclosed
CN-105189432-A Improvements in or relating to organic compounds GIVAUDAN SA 2015-12-23 CN disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 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 (4 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-20160075627-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK ACHE 1114/4885METAP1 1705/4885AADAT 1089/4885
US-20180251706-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK ACHE 1114/4885METAP1 1705/4885AADAT 1089/4885
US-20170218299-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK ACHE 1114/4885METAP1 1705/4885AADAT 1089/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK ACHE 1114/4885METAP1 1705/4885AADAT 1089/4885

“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.