SCHEMBL3289307

SCHEMBL3289307

C=C(C)COC(=O)C1CCCC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
PAX8 Q06710 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
EPHX1 P07099 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 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
SCHEMBL6351424 0.83 ALDH1A1 (0.44) ATMSMN1; SMN2ALDH1A1KMT2ARXFP1
SCHEMBL6359904 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2AHPGDRXFP1
SCHEMBL3780168 0.80 SMN1; SMN2 (0.35) ATMSMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL22420090 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL13369529 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3290824 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL10325880 0.79 MAPT (0.41) ATMSMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL3291388 0.77 ALDH1A1 (0.35) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL5526524 0.77 EPHX2 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL22115776 0.75 EPHX2 (0.36) ATMSMN1; SMN2POLBALDH1A1KMT2A

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
EP-2070512-B1 Methyl cyclohexane carboxylates and their use in perfume compositons INT FLAVORS & FRAGRANCES INC (US) 2012-10-31 EP disclosed
EP-2070512-B1 Methyl cyclohexane carboxylates and their use in perfume compositons INT FLAVORS & FRAGRANCES INC (US) 2012-10-31 EP disclosed
US-7723277-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-05-25 US disclosed
US-7723277-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-05-25 US disclosed
US-7723277-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-05-25 US disclosed
US-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-31 US disclosed
US-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-31 US disclosed
US-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-31 US disclosed
US-7632792-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-12-15 US disclosed
US-7632792-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-12-15 US disclosed
US-7632792-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-12-15 US disclosed
EP-2070512-A1 Methyl cyclohexane carboxylates and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2009-06-17 EP disclosed
EP-2070512-A1 Methyl cyclohexane carboxylates and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2009-06-17 EP disclosed
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 US disclosed
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 US disclosed
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 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 (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-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 ATM 1385/4885SMN1; SMN2 3039/4885POLB 2368/4885
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 ATM 1385/4885SMN1; SMN2 3039/4885POLB 2368/4885

“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.