SCHEMBL3255346

SCHEMBL3255346

CC(C)=CCCC(C)CCO[C]=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.62
ALDH1A1 P00352 2/20 0.53
NFE2L2 Q16236 1/20 0.45
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.36
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35

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
SCHEMBL9359140 0.84 ALOX15 (0.50) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL17861019 0.82 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL3696800 0.79 ALOX15 (0.58) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL8397532 0.79 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL8059226 0.79 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL6720281 0.78
SCHEMBL12286363 0.77 ALOX15 (0.75) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL27200268 0.77 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL17955374 0.77 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL14581768 0.77 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TSHR

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
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL ALOX15 2002/4885ALDH1A1 309/4885NFE2L2 3576/4885

“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.