SCHEMBL3305367

SCHEMBL3305367

COc1ccc(-n2cc(C)ccc2=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ESR1 P03372 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL4756390 0.94 SMN1; SMN2 (0.45) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL3298337 0.88 MAPT (0.48) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL10059737 0.86 HTR3E (0.44) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL3304455 0.80 ALDH1A1 (0.54) LMNAMAPTHTTGAAHSD17B10
SCHEMBL758900 0.76 ALDH1A1 (0.62) SMN1; SMN2LMNAMAPTHTTGAA
SCHEMBL3305184 0.76 ALDH1A1 (0.58) LMNAMAPTHTTGAAHSD17B10
SCHEMBL3301674 0.75 ALDH1A1 (0.62) TSHRLMNAMAPTGAAHSD17B10
SCHEMBL3307189 0.73 ALDH1A1 (0.46) TSHRMAPTHTTGAAHSD17B10
SCHEMBL3302437 0.72 KDM4E (0.53) SMN1; SMN2LMNAMAPTGAAHSD17B10
SCHEMBL10079100 0.72 ALDH1A1 (0.53) LMNAMAPTHTTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIEREPHARMA, INC. (US) 2010-04-22 US claimed
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES TAO LI JIAN 2009-10-15 US claimed
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases TAO LI J 2009-01-01 US claimed
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases TAO LI J 2007-08-30 US claimed
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIEREPHARMA, INC. (US) 2010-04-22 US disclosed
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES TAO LI JIAN 2009-10-15 US disclosed
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases TAO LI J 2009-01-01 US disclosed
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases TAO LI JIAN 2008-12-25 US disclosed
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases TAO LI J 2007-08-30 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 (5 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-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA REN, PTPRF, PPM1F SMN1; SMN2 3907/4885TSHR 4635/4885LMNA 1962/4885
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 SMN1; SMN2 665/4885TSHR 4572/4885LMNA 226/4885
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 SMN1; SMN2 665/4885TSHR 4572/4885LMNA 226/4885
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES COL1A1, COL2A1, MMP1 SMN1; SMN2 665/4885TSHR 4572/4885LMNA 226/4885
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 SMN1; SMN2 665/4885TSHR 4572/4885LMNA 226/4885

“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.