SCHEMBL6270579

SCHEMBL6270579

C=[N+]([O-])C(C)(C)C.COCOc1c(C(C)(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 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
SCHEMBL8807107 0.89 ALDH1A1 (0.39) ALDH1A1TSHRTDP1HTTSMN1; SMN2
SCHEMBL5983928 0.76 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL4731276 0.70 ESRRA (0.38) LMNA
SCHEMBL8903140 0.70 TNFRSF1A (0.40) CA1CA2
SCHEMBL4394260 0.70 DHFR (0.34)
SCHEMBL9161090 0.69 DHFR (0.38) ALDH1A1TSHRLMNACYP3A4
SCHEMBL1729127 0.69 PTGDR2 (0.37) ALDH1A1HTTSMN1; SMN2LMNAALOX15
SCHEMBL7987373 0.69 TNFRSF1A (0.37) LMNACA1CA2
SCHEMBL8779698 0.69 EGFR (0.48) ALDH1A1TSHRTDP1L3MBTL1LMNA
SCHEMBL9162907 0.69 TSHR (0.42) ALDH1A1TSHRHTTMEN1KMT2A

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-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor RENOVIS, INC. 2005-09-29 US disclosed
WO-2005087214-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS AND PHARMACEUTICAL COMPOSITIONS THEREFOR RENOVIS, INC. (US) 2005-09-22 WO 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-20050215646-A1 Methods for treating multiple sclerosis and pharmaceutical compositions therefor CCL11, TXNRD3, CX3CR1 ALDH1A1 1148/4885TSHR 2915/4885TDP1 2713/4885

“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.