SCHEMBL8849716

SCHEMBL8849716

Cc1cc(C(C)(C)C)ccc1CC(C)C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL8011207 0.89 TSHR (0.58) TSHRTP53ADRA2AADRA2BADRA2C
SCHEMBL28823390 0.83 TP53 (0.55) TSHRTP53HTR1DATMCYP1A2
SCHEMBL28037910 0.83 TP53 (0.55) TSHRTP53HTR1DATMCYP1A2
SCHEMBL9241092 0.80 ATM (0.50) TSHRTP53ADRA2AADRA2BADRA2C
SCHEMBL23248048 0.80 TP53 (0.47) TSHRTP53ELANE
SCHEMBL29671366 0.80 TP53 (0.47) TSHRTP53ELANE
SCHEMBL4428392 0.79 TP53 (0.51) TSHRTP53ATMCYP1A2CYP2C19
SCHEMBL16245780 0.78 LMNA (0.40) TSHRTP53ELANEALDH1A1HTT
SCHEMBL13802284 0.78 ESR2 (0.49) TSHRTP53ELANENR3C1PGR
SCHEMBL16245769 0.77 TSHR (0.44) TSHRTP53NFKB1MAPTMEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218459-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-09-03 — — EP claimed
CN-107074712-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2021-06-29 — — CN claimed
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 — — EP claimed
US-20180282662-A1 Process GIVAUDAN S.A. (CH) 2018-10-04 — — US claimed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 — — US claimed
EP-3218459-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2017-09-20 — — EP claimed
US-20170218299-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-03 — — US claimed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US claimed
WO-2016074697-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-05-19 — — WO 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
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — WO claimed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 — — US disclosed
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 — — EP 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
EP-0652861-B1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN PERFUME PRODUCTS FIRMENICH & CIE (CH) 1997-09-03 — — EP disclosed
US-5527769-A AROMATIC ALDEHYDES OR ACETALS IMPART FLORAL FRAGRANCES FIRMENICH SA (CH) 1996-06-18 — — US disclosed
EP-0652861-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN PERFUME PRODUCTS. FIRMENICH & CIE (CH) 1995-05-17 — — EP disclosed
WO-1994027946-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN PERFUME PRODUCTS FIRMENICH S.A. (CH) 1994-12-08 — — 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 (5 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 TSHR 3983/4885TP53 923/4885ADRA2A 1709/4885
US-20180282662-A1 Process CUL4B, RNF10, BICRA TSHR 3485/4885TP53 701/4885ADRA2A 1278/4885
US-20180251706-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885ADRA2A 1709/4885
US-20170218299-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885ADRA2A 1709/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885ADRA2A 1709/4885

“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.

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