SCHEMBL4487866

SCHEMBL4487866

C=COC(C)(C)c1ccccc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.33
ADRB1 P08588 2/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP2A6 P11509 1/20 0.32
HSD11B1 P28845 1/20 0.31
HTR7 P34969 2/20 0.31
PTGS2 P35354 1/20 0.31
ALOX15 P16050 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL28035602 0.82 TDP1 (0.41) ADRB2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL5068618 0.77 ALDH1A1 (0.37) ADRB2ADRB1ALDH1A1HSD17B10MAPK1
SCHEMBL18297950 0.76 HSD11B1 (0.37) ADRB2ADRB1ALDH1A1HSD17B10MAPK1
SCHEMBL10448876 0.76 ALDH1A1 (0.52) ADRB2ADRB1ALDH1A1HSD17B10MAPK1
SCHEMBL10581664 0.76 CYP2A6 (0.40) ADRB2ADRB1ALDH1A1HSD17B10MAPK1
SCHEMBL28562495 0.74 MAPK1 (0.43) ADRB2ADRB1ALDH1A1HSD17B10MAPK1
SCHEMBL3112567 0.73 CA2 (0.32)
SCHEMBL11507354 0.73 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL4521012 0.72 MAPK1 (0.56) ALDH1A1MAPK1ALOX15
SCHEMBL29833702 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518021-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20040181098-A1 Aromatic vinyl ether compounds EMORY UNIVERSITY 2004-09-16 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-20040181098-A1 Aromatic vinyl ether compounds SUV39H2, SUV39H1, RAVER1 ADRB2 733/4885ADRB1 961/4885ALDH1A1 282/4885

“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.