SCHEMBL9117899

SCHEMBL9117899

COc1ccc(C(C)(C)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ACHE P22303 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL179542 0.83 GAA (0.47) GAAALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL17286686 0.82 HSD11B1 (0.45) GAAALDH1A1HTT
SCHEMBL9115762 0.80 CA12 (0.54) GAAALDH1A1CA1CA2CA12
SCHEMBL21226994 0.80 ACHE (0.42) GAAALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL3576845 0.80 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2CA1CA2
SCHEMBL898070 0.80 CA1 (0.39) GAAALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1494105 0.80 ALDH1A1 (0.57) GAAALDH1A1SMN1; SMN2HTTCA1
SCHEMBL17287109 0.79 KCNJ11 (0.42) GAASMN1; SMN2HTTMEN1KMT2A
SCHEMBL531512 0.78 KIF11 (0.47) GAAALDH1A1CA1CA2CA12
SCHEMBL13226839 0.78 CA12 (0.47) GAAALDH1A1CA1CA2CA12

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
US-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-05-15 US disclosed
US-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-05-15 US disclosed
WO-1995019948-A1 NOVEL ALKYL TETRALIN ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 WO disclosed
US-5401720-A Musk perfume UNION CAMP CORPORATION (US) 1995-03-28 US disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 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 (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-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF CYP2B6, CYP4B1, CIAPIN1 GAA 1587/4885ALDH1A1 475/4885SMN1; SMN2 4815/4885

“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.