SCHEMBL5872938

SCHEMBL5872938

CC(C)(O)CCCOC(=O)CC1CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.33
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL22263800 0.83 KDM4E (0.38) KDM4EEPHX2ALDH1A1POLBALOX15
SCHEMBL5873088 0.83 EPHX2 (0.32) KDM4EEPHX2ALDH1A1
SCHEMBL22263786 0.82 NAAA (0.44) KDM4EEPHX2ALDH1A1
SCHEMBL22263750 0.81 NAAA (0.46) KDM4EEPHX2ALDH1A1
SCHEMBL22263863 0.81 NAAA (0.46) KDM4EEPHX2ALDH1A1
SCHEMBL4739740 0.80 KDM4E (0.40) KDM4EEPHX2ALDH1A1POLBALOX15
SCHEMBL5873043 0.78 ALDH1A1 (0.42) KDM4EEPHX2ALDH1A1POLBALOX15
SCHEMBL13888501 0.77 EPHX2 (0.35) KDM4EEPHX2ALDH1A1POLBALOX15
SCHEMBL1089531 0.77 KDM4E (0.41) KDM4EEPHX2ALDH1A1POLBALOX15
SCHEMBL4379431 0.76 KDM4E (0.38) KDM4EEPHX2ALDH1A1POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7029822-B2 Tertiary alcohol compounds having alicyclic structure SHIN ETSU CHEMICAL CO., LTD. (JP) 2006-04-18 US disclosed
US-20040254394-A1 Novel tertiary alcohol compounds having alicyclic structure HASEGAWA KOJI (JP) 2004-12-16 US disclosed
US-6774258-B2 USEFUL AS MONOMER TO FORM POLYMER WHICH SERVES AS A BASE RESIN IN CHEMICALLY AMPLIFIED RESIST SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-08-10 US disclosed
US-20020072579-A1 Novel tertiary alcohol compounds having alicyclic structure SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-13 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-20040254394-A1 Novel tertiary alcohol compounds having alicyclic structure ADH1A, ADH1C, ICAM1 KDM4E 822/4885EPHX2 1285/4885ALDH1A1 30/4885
US-20020072579-A1 Novel tertiary alcohol compounds having alicyclic structure ADH1A, ADH1C, ICAM1 KDM4E 822/4885EPHX2 1285/4885ALDH1A1 30/4885

“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.