SCHEMBL4152574

SCHEMBL4152574

C[C@@H]1CCCC(C)(C)[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 4/20 0.45
CYP1A2 P05177 1/20 0.35
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
FFAR3 O14843 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL4147353 1.00 UGT2B7 (0.45) UGT2B7CYP1A2EPHX1APLNRSLC1A2
SCHEMBL4607753 1.00 UGT2B7 (0.45) UGT2B7CYP1A2EPHX1APLNRSLC1A2
SCHEMBL4607755 1.00 UGT2B7 (0.45) UGT2B7CYP1A2EPHX1APLNRSLC1A2
SCHEMBL7169835 1.00 UGT2B7 (0.45) UGT2B7CYP1A2EPHX1APLNRSLC1A2
SCHEMBL4152571 1.00 UGT2B7 (0.45) UGT2B7CYP1A2EPHX1APLNRSLC1A2
SCHEMBL9821111 0.98 UGT2B7 (0.44) UGT2B7CYP1A2EPHX1APLNRSLC1A2
SCHEMBL28166839 0.85 UGT2B7 (0.35) UGT2B7CYP1A2EPHX1CA1CA2
SCHEMBL4606059 0.83 UGT2B7 (0.34) UGT2B7CYP1A2EPHX1CA1CA2
SCHEMBL4605622 0.83 UGT2B7 (0.34) UGT2B7CYP1A2EPHX1CA1CA2
SCHEMBL21441575 0.83 UGT2B7 (0.34) UGT2B7CYP1A2EPHX1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP claimed
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-11-06 US claimed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP claimed
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-05-31 US disclosed
CN-111212884-A Cold-sensitive composition containing 2,2, 6-trimethylcyclohexanecarboxylic acid derivative 高砂香料工业株式会社 2020-05-29 CN disclosed
EP-3024427-B1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAKASAGO PERFUMERY CO LTD (JP) 2019-10-09 EP disclosed
US-10252975-B2 Derivatives of 2,2,6-trimethylcyclohexane-carboxylate TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-04-09 US disclosed
US-20160168074-A1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-16 US disclosed
US-20090226389-A1 OXIDANT FOR HAIR TREATMENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-09-10 US disclosed
EP-1986748-A1 OXIDANT FOR HAIR TREATMENT Takasago International Corporation (JP) 2008-11-05 EP disclosed
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP disclosed
WO-2007096409-A1 OXIDANT FOR HAIR TREATMENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-08-30 WO disclosed
EP-1347035-A3 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2004-03-17 EP disclosed
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-11-06 US disclosed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
EP-0829463-B1 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions TAKASAGO PERFUMERY CO LTD (JP) 2001-12-19 EP disclosed
US-5994291-A (E)-(R)-2-alkyl-4-(2,2,3,-Trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof TAKASAGO INTERNATIONAL COPORATION (JP) 1999-11-30 US disclosed
EP-0829463-A2 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions Takasago International Corporation (JP) 1998-03-18 EP disclosed
US-5288702-A Floral or fruit-like odor TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-22 US 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-10252975-B2 Derivatives of 2,2,6-trimethylcyclohexane-carboxylate TAS2R13, TAS2R5, TAS2R50 UGT2B7 1293/4885CYP1A2 1614/4885EPHX1 4127/4885
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative CNR2, ADRB2, TRPA1 UGT2B7 4500/4885CYP1A2 1421/4885EPHX1 2858/4885
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition ETV1, ELP1, TAS1R2 UGT2B7 3510/4885CYP1A2 851/4885EPHX1 1058/4885
US-20160168074-A1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAS2R13, TAS2R5, TAS2R50 UGT2B7 1293/4885CYP1A2 1614/4885EPHX1 4127/4885

“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.