SCHEMBL13635453

SCHEMBL13635453

COc1ccccc1-c1ccc(=O)n(-c2cccc(C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
TNKS2 Q9H2K2 1/20 0.47
HSD11B1 P28845 1/20 0.46
UGCG Q16739 1/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.43
BLM P54132 1/20 0.43
HTR7 P34969 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
BRD4 O60885 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL10059873 0.86 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2TNKS2UGCG
SCHEMBL10059964 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL13635449 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTTNKS2
SCHEMBL10059902 0.80 MAPK1 (0.51) MAPTPIK3CDPIK3CGGAAMAPK1
SCHEMBL10059894 0.79 PTPRC (0.43) ALDH1A1KDM4ESMN1; SMN2TNKS2PTPRC
SCHEMBL10059903 0.78 PTPRC (0.43) ALDH1A1KDM4ETNKS2UGCGPTPRC
SCHEMBL10059948 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL14883635 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTTNKS2
SCHEMBL10059933 0.76 AHR (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL13635444 0.74 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD

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-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 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 (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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885KDM4E 3381/4885SMN1; SMN2 3670/4885

“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.