SCHEMBL580205

SCHEMBL580205

C=CCOC1CCC(C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
EPHX2 P34913 1/20 0.36
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
LIPA P38571 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL10871408 1.00 MEN1 (0.41) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL4570341 0.90 EPHX2 (0.37) MEN1KMT2AHTTL3MBTL1EPHX2
SCHEMBL1981954 0.90 EPHX2 (0.37) MEN1KMT2AHTTL3MBTL1EPHX2
SCHEMBL472084 0.82 EPHX2 (0.44) EPHX2
SCHEMBL3933914 0.82
SCHEMBL12311623 0.80 EPHX2 (0.35) MEN1KMT2AHTTL3MBTL1EPHX2
SCHEMBL14952788 0.80 MEN1 (0.41) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL30754364 0.80 MEN1 (0.41) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL3043547 0.79 TDP1 (0.40) MEN1KMT2AHTTL3MBTL1TSHR
SCHEMBL14609409 0.77 EPHX2 (0.39) EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61263944-A None JP disclosed
US-9060943-B2 Compositions comprising trans-tert-butyl cyclohexanol as skin irritation-reducing agent SYMRISE AG (DE) 2015-06-23 US disclosed
US-20120121737-A1 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE AG (DE) 2012-05-17 US disclosed
EP-2416766-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT Symrise AG (DE) 2012-02-15 EP disclosed
WO-2009087242-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE GMBH & CO. KG (DE) 2009-07-16 WO disclosed
US-4767867-A 5-(alkoxyalkyl)-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-08-30 US disclosed
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 EP disclosed
JP-S61263944-A CIS(OR TRANS)-1-ALLYLOXY-4-TERT-BUTYLCYCLOHEXANE AND PERFUME COMPOSITION CONTAINING SAME KAO CORP 1986-11-21 JP 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 (1 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-20120121737-A1 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT TERT, CUTA, TRPA1 MEN1 4238/4885KMT2A 3149/4885HTT 643/4885

“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.