SCHEMBL17063591

SCHEMBL17063591

COc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 3/20 0.47
NOTUM Q6P988 1/20 0.46
CLCN2 P51788 1/20 0.44
TPMT P51580 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
APEX1 P27695 1/20 0.43
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
ACLY P53396 1/20 0.40

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
SCHEMBL18529850 0.88 TDP1 (0.52) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL14699894 0.86 ALDH1A1 (0.63) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL1893739 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4ETDP1MAPT
Ammonia Solution, Strong SCHEMBL27937320 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL18542613 0.83 TDP1 (0.47) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL4072002 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL6924772 0.83 TDP1 (0.51) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL2817995 0.83 TDP1 (0.66) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL6828217 0.81 TDP1 (0.46) ALDH1A1HSD17B10KDM4ETDP1MAPT
SCHEMBL3539392 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ETDP1MAPT

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
EP-3116502-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS The Regents Of The University Of Michigan (US) 2017-01-18 EP disclosed
WO-2015138326-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-17 WO disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 ALDH1A1 4467/4885HSD17B10 4007/4885KDM4E 2620/4885

“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.