SCHEMBL18143043

SCHEMBL18143043

COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.57
HSD17B10 Q99714 1/20 0.57
PARP14 Q460N5 1/20 0.56
PARP10 Q53GL7 1/20 0.56
SCD5 Q86SK9 6/20 0.56
SCD O00767 3/20 0.56
RIPK1 Q13546 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
DYRK1A Q13627 1/20 0.52
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL8542566 0.85 ROCK2 (0.62) ROCK2HSD17B10PARP14PARP10SCD5
SCHEMBL7729871 0.82 TSHR (0.66) ROCK2HSD17B10PARP14PARP10SCD5
SCHEMBL168416 0.81 RIPK1 (0.53) ROCK2HSD17B10PARP14PARP10SCD5
SCHEMBL166794 0.80 ROCK2 (0.60) ROCK2PARP14PARP10SCD5SCD
SCHEMBL166963 0.80 RIPK1 (0.54) ROCK2PARP14PARP10SCD5SCD
SCHEMBL256556 0.79 RIPK1 (0.53) ROCK2PARP14PARP10SCD5SCD
SCHEMBL8596155 0.78 PARP14 (0.62) ROCK2PARP14PARP10SCD5SCD
SCHEMBL164387 0.77 PARP14 (0.60) ROCK2PARP14PARP10SCD5SCD
SCHEMBL10002512 0.76 RIPK1 (0.64) HSD17B10SCD5SCDRIPK1HSP90AA1
SCHEMBL13257687 0.76 TACR1 (0.47) ROCK2KMT2AL3MBTL1ALDH1A1PKM

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-9770435-B2 Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases OGEDA SA (BE) 2017-09-26 US disclosed
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2016-10-20 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-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES PTGS1, PTGES, PTGER1 ROCK2 4095/4885HSD17B10 261/4885PARP14 4424/4885

“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.