SCHEMBL9632008

SCHEMBL9632008

CCOC(=O)C(C)Cc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
MMP8 P22894 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.42
MAOB P27338 2/20 0.42
IDO1 P14902 1/20 0.42
CTBP2 P56545 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL8563484 0.92 MMP8 (0.46) ALDH1A1TP53KMT2AL3MBTL1MEN1
SCHEMBL20254521 0.87 MMP8 (0.43) ALDH1A1TP53L3MBTL1MMP8LMNA
SCHEMBL12191879 0.86 L3MBTL1 (0.43) ALDH1A1TP53L3MBTL1MMP8LMNA
SCHEMBL9837282 0.86 MMP8 (0.42) ALDH1A1TP53SMN1; SMN2L3MBTL1MMP8
SCHEMBL12191878 0.86 L3MBTL1 (0.43) ALDH1A1TP53L3MBTL1MMP8LMNA
SCHEMBL2496064 0.86 L3MBTL1 (0.43) ALDH1A1TP53L3MBTL1MMP8LMNA
SCHEMBL17604992 0.85 ALDH1A1 (0.63) ALDH1A1TP53KMT2AHPGDSMN1; SMN2
SCHEMBL12185043 0.84 LOXL2 (0.45) ALDH1A1TP53SMN1; SMN2L3MBTL1MMP8
SCHEMBL27744395 0.84 SMN1; SMN2 (0.43) ALDH1A1TP53KMT2AHPGDSMN1; SMN2
SCHEMBL15851320 0.83 SLC7A5 (0.45) ALDH1A1TP53KMT2AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 US disclosed
EP-0343182-B1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1992-05-06 EP disclosed
US-4968668-A Alcohols having 3-methyl or 3,5-dimethyl or 3,5-dimethylphenyl groups, a process for their preparation and a fragrance composition containing same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1990-11-06 US disclosed
EP-0343182-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS. CONSORTIUM ELEKTROCHEM IND (DE) 1989-11-29 EP disclosed
WO-1988005770-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1988-08-11 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 (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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS ALDH1A1 725/4885TP53 344/4885KMT2A 1393/4885

“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.