SCHEMBL5388682

SCHEMBL5388682

CCC(C)c1cc(C(C)C)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.58
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 2/20 0.53
HIF1A Q16665 2/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
RNASEH1 O60930 1/20 0.48
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
CACNA1C Q13936 1/20 0.48
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
TDP1 Q9NUW8 5/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL487428 0.90 GAA (0.67) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL4386541 0.88 RORC (0.58) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL16736849 0.86 TSHR (0.57) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL4389791 0.86 RORC (0.56) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL3152462 0.86 GAA (0.62) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL224395 0.83 ALOX12 (0.59) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL31655440 0.83 ALOX12 (0.59) ALDH1A1GAAALOX15HSD17B10HPGD
SCHEMBL8804562 0.83 TSHR (0.62) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL9336626 0.82 TSHR (0.72) RORCALDH1A1GAAALOX15HSD17B10
SCHEMBL50884 0.81 ALOX12 (0.57) ALDH1A1GAAALOX15HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 RORC 1339/4885ALDH1A1 81/4885GAA 1145/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 RORC 1030/4885ALDH1A1 116/4885GAA 1031/4885

“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.