SCHEMBL6551869

SCHEMBL6551869

COC(C)Cc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.41
IDO1 P14902 1/20 0.41
SLC6A4 P31645 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR2 O43614 1/20 0.38
LDHA P00338 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ACACB O00763 1/20 0.38
ACHE P22303 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
SCHEMBL43314 0.91 SLC6A4 (0.46) SLC6A4LDHACYP2A6TAAR1
SCHEMBL9484637 0.81 AGXT (0.44) AGXTIDO1SLC6A4PPARGPPARA
SCHEMBL13006663 0.81 SIGMAR1 (0.56) SLC6A4CYP2A6TAAR1
SCHEMBL2555409 0.81 SIGMAR1 (0.56) SLC6A4CYP2A6TAAR1
SCHEMBL13189946 0.81 SIGMAR1 (0.56) SLC6A4CYP2A6TAAR1
SCHEMBL9694562 0.80 TRPA1 (0.42) SLC6A4LDHACYP1A2CYP2A6TAAR1
SCHEMBL14706798 0.80 TSHR (0.42) SLC6A4PPARGPPARALDHATAAR1
SCHEMBL12665322 0.80 SLC6A4 (0.44) SLC6A4CYP2A6TAAR1
SCHEMBL1840026 0.80 TAAR1 (0.57) TAAR1
SCHEMBL2551815 0.78 PPARA (0.42) AGXTIDO1PPARGPPARASMN1; SMN2

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
EP-0908173-B1 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH & CIE (CH) 2004-02-18 EP claimed
US-5939368-A PERFUMES AND CHLORINATED COMPOUND FOR FLORAL SCENTS FIRMENICH SA (CH) 1999-08-17 US claimed
EP-0908173-A2 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH SA (CH) 1999-04-14 EP claimed
EP-0352672-A2 Process for the preparation of alkenyl aromatic compounds BASF Aktiengesellschaft (DE) 1990-01-31 EP claimed
JP-11199890-A None JP disclosed
JP-11199890-A None JP disclosed
EP-3274352-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-01-31 EP disclosed
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-25 US disclosed
US-9604996-B2 Cyclic thienouracil-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 US disclosed
WO-2016150901-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 WO disclosed
US-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-0908173-B1 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH & CIE (CH) 2004-02-18 EP disclosed
US-5939368-A PERFUMES AND CHLORINATED COMPOUND FOR FLORAL SCENTS FIRMENICH SA (CH) 1999-08-17 US disclosed
US-5939368-A PERFUMES AND CHLORINATED COMPOUND FOR FLORAL SCENTS FIRMENICH SA (CH) 1999-08-17 US disclosed
US-5939368-A PERFUMES AND CHLORINATED COMPOUND FOR FLORAL SCENTS FIRMENICH SA (CH) 1999-08-17 US disclosed
JP-H11199890-A USE OF 1-METHOXY-2-METHYL-3-PHENYLPROPANE, 1-(2-METHOXYPROPYL)-4-METHYLBENZENE AND 3-METHOXY-2,2,3-TRIMETHYL-1-PHENYLBUTANE IN PERFUME FIRMENICH SA 1999-07-27 JP disclosed
JP-H11199890-A USE OF 1-METHOXY-2-METHYL-3-PHENYLPROPANE, 1-(2-METHOXYPROPYL)-4-METHYLBENZENE AND 3-METHOXY-2,2,3-TRIMETHYL-1-PHENYLBUTANE IN PERFUME FIRMENICH SA 1999-07-27 JP disclosed
EP-0908173-A2 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH SA (CH) 1999-04-14 EP disclosed
EP-0908173-A2 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH SA (CH) 1999-04-14 EP disclosed
EP-0908173-A2 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH SA (CH) 1999-04-14 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 (2 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-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF AGXT 1087/4885IDO1 1650/4885SLC6A4 3331/4885
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF AGXT 1087/4885IDO1 1650/4885SLC6A4 3331/4885

“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.