SCHEMBL7999600

SCHEMBL7999600

CC1(C=O)Cc2ccc(C(C)(C)C)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL28930335 0.77 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30834242 0.77 ALDH1A1 (0.37) ALDH1A1ALOX15TDP1TP53GAA
SCHEMBL25690300 0.77 TSHR (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5691103 0.74 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL20975606 0.73 NOTUM (0.34) MAPTL3MBTL1
SCHEMBL30492660 0.72 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL16245860 0.72 RAB9A (0.34) ALDH1A1HPGDMAPTMAPK1NPSR1
SCHEMBL22714287 0.72 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL16245881 0.72 HPGD (0.45) HPGDALOX15HSD17B10MAPTMAPK1
SCHEMBL29232865 0.71 HTT (0.40) ALDH1A1TDP1TSHRGAAKMT2A

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 23 patents — showing the first 20. 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
US-6103688-A TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES FIRMENICH SA (CH) 2000-08-15 US claimed
EP-0685444-B1 Aromatic compounds and their use in perfumery FIRMENICH & CIE (CH) 2000-04-05 EP claimed
EP-0685444-A1 Aromatic compounds and their use in perfumery FIRMENICH SA (CH) 1995-12-06 EP claimed
EP-3707120-B1 ALDEHYDES FOR USE AS ODORANTS GIVAUDAN SA (CH) 2022-01-05 EP 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
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
US-6103688-A TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES FIRMENICH SA (CH) 2000-08-15 US disclosed
EP-0685444-B1 Aromatic compounds and their use in perfumery FIRMENICH & CIE (CH) 2000-04-05 EP disclosed
US-5552379-A FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS FIRMENICH SA (CH) 1996-09-03 US disclosed
EP-0685444-A1 Aromatic compounds and their use in perfumery FIRMENICH SA (CH) 1995-12-06 EP 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 ALDH1A1 31/4885HPGD 863/4885ALOX15 220/4885
US-20180251706-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK ALDH1A1 31/4885HPGD 863/4885ALOX15 220/4885
US-20170218299-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK ALDH1A1 31/4885HPGD 863/4885ALOX15 220/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK ALDH1A1 31/4885HPGD 863/4885ALOX15 220/4885

“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.