SCHEMBL5872909

SCHEMBL5872909

CCC(O)(CC)CCCOC(=O)CCC1CC2C=CC1C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EPHX2 P34913 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4264183 0.79 ALDH1A1 (0.43) KDM4EALDH1A1USP2ALOX15TDP1
SCHEMBL7533791 0.79 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL5873088 0.79 EPHX2 (0.32) KDM4EALDH1A1EPHX2MEN1KMT2A
SCHEMBL5873001 0.78 ALDH1A1 (0.41) KDM4EALDH1A1ALOX15TDP1EPHX2
SCHEMBL5872938 0.75 KDM4E (0.33) KDM4EALDH1A1ALOX15TDP1EPHX2
SCHEMBL32688759 0.73 ALDH1A1 (0.40) KDM4EALDH1A1ALOX15TDP1EPHX2
SCHEMBL4104590 0.73 ALDH1A1 (0.40) KDM4EALDH1A1ALOX15TDP1EPHX2
SCHEMBL19813191 0.72 KDM4E (0.36) KDM4EALDH1A1USP2ALOX15TDP1
SCHEMBL19096568 0.72 ALDH1A1 (0.52) KDM4EALDH1A1USP2ALOX15TDP1
SCHEMBL22263800 0.71 KDM4E (0.38) KDM4EALDH1A1ALOX15TDP1EPHX2

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 822/4885ALDH1A1 30/4885USP2 4286/4885
US-20020072579-A1 Novel tertiary alcohol compounds having alicyclic structure ADH1A, ADH1C, ICAM1 KDM4E 822/4885ALDH1A1 30/4885USP2 4286/4885

“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.