SCHEMBL4229462

SCHEMBL4229462

CCC(C)Nc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 3/20 0.48
THRB P10828 2/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IDO1 P14902 2/20 0.43
CXCR2 P25025 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29385988 0.85 TSHR (0.58) TSHRALDH1A1THRBTP53HSP90AA1
SCHEMBL48533 0.85 TSHR (0.58) TSHRALDH1A1THRBTP53HSP90AA1
SCHEMBL6884454 0.85 POLB (0.42) TSHRALDH1A1THRBSMN1; SMN2L3MBTL1
SCHEMBL10762934 0.82 ALDH1A1 (0.49) TSHRALDH1A1THRBCYP3A4ALOX15
SCHEMBL4229486 0.82 IDO1 (0.42) TSHRHSP90AA1L3MBTL1IDO1
SCHEMBL6885166 0.82 IDO1 (0.62) TSHRALDH1A1THRBTP53TDP1
SCHEMBL21116058 0.81 TRPA1 (0.41) TSHRALDH1A1THRBTP53TDP1
SCHEMBL104062 0.79 IDO1 (0.59) TSHRALDH1A1THRBTP53CYP3A4
SCHEMBL13303751 0.78 ALDH1A1 (0.50) TSHRALDH1A1THRBTP53HSP90AA1
SCHEMBL14930874 0.78 ALDH1A1 (0.50) TSHRALDH1A1THRBTP53HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660884-B1 CROWN ETHER DERIVATIVES LIFE TECHNOLOGIES CORP (US) 2012-05-23 EP disclosed
US-7498467-B2 Antioxidant and bisaminophenol derivative IDEMITSU KOSAN CO., LTD. (JP) 2009-03-03 US disclosed
US-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-07-03 US disclosed
US-20060208227-A1 Antioxidant and bisaminophenol derivative IDEMITSU LOSAN CO., LTD (JP) 2006-09-21 US disclosed
EP-1612254-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2006-01-04 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-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE CBR1, CBR3, HMOX1 TSHR 2375/4885ALDH1A1 204/4885THRB 2390/4885

“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.