SCHEMBL14248199

SCHEMBL14248199

CC(C)=CCC[C@H](C)C(C)C=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
SRC P12931 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 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
SCHEMBL233123 1.00 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL22111423 1.00 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL23892698 1.00 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL30886891 0.82 ALOX15 (0.35) ALOX15TSHRALDH1A1
SCHEMBL2006490 0.81 ALOX15 (0.50) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL6908214 0.78 ALOX15 (0.47) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL29785 0.77 ALOX15 (0.55) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL17242080 0.77 ALOX15 (0.55) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL17967768 0.77 ALOX15 (0.55) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL6444472 0.77 ALDH1A1 (0.35) TSHRALDH1A1

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
CN-109790092-B 1-hydroxymethyl-1,2,2,6-tetramethyl-cyclohexane and derivatives thereof and their use as fragrance chemicals 巴斯夫欧洲公司 2023-06-20 CN disclosed
EP-3494103-B1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-06 EP disclosed
EP-3494103-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2019-06-12 EP disclosed
US-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF CHEMICALS INDIA PVT. LTD. (IN) 2019-06-06 US disclosed
CN-109790092-A 1- methylol -1,2,2,6- tetramethyl-hexamethylene and its derivative and their purposes as aromachemicals 巴斯夫欧洲公司 2019-05-21 CN disclosed
EP-2720539-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2018-10-24 EP disclosed
WO-2018024820-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2018-02-08 WO disclosed
CN-103917093-B Opsin binding ligands, compositions, and methods of use 比卡姆药品公司 2017-08-11 CN disclosed
CN-106431988-A Opsin-binding ligands, compositions and methods of use 比卡姆药品公司 2017-02-22 CN disclosed
US-20170037024-A1 Opsin-Binding Ligands, Compositions and Methods for Use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-09 US disclosed
US-9457004-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2016-10-04 US disclosed
US-20150366834-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-9133082-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
US-20140135374-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
EP-2720539-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012174064-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2012-12-20 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-20140135374-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C ALOX15 3081/4885TSHR 656/4885ALDH1A1 2166/4885
US-20150366834-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C ALOX15 3081/4885TSHR 656/4885ALDH1A1 2166/4885
US-20170037024-A1 Opsin-Binding Ligands, Compositions and Methods for Use CRYAB, CRYAA, PDE6C ALOX15 3055/4885TSHR 746/4885ALDH1A1 2191/4885
US-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS TMT1A, CYP19A1, CYP51A1 ALOX15 603/4885TSHR 3508/4885ALDH1A1 13/4885

“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.