SCHEMBL4701885

SCHEMBL4701885

COc1c(C(=O)O)ccc2c1OC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 10/20 0.39
HSP90AA1 P07900 4/20 0.36
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL26290447 0.79 SELL (0.41) TDP1MAPTALDH1A1HSD17B10MAPK1
SCHEMBL10520286 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10POLBMAPK1KDM4E
SCHEMBL31474116 0.78 ALDH1A1 (0.39) ALDH1A1MAPK1KDM4EHPGD
SCHEMBL6837909 0.74 MAPT (0.47) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL1505827 0.73 TDP1 (0.61) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL10857668 0.72 LMNA (0.42) TDP1MAPTALDH1A1KDM4E
SCHEMBL30860405 0.72 HIF1A (0.70) HIF1AHSP90AA1
SCHEMBL21752804 0.72 HIF1A (0.70) HIF1AHSP90AA1
Hydrochloric Acid SCHEMBL2202243 0.71 TDP1 (0.59) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL31474158 0.71 ALDH1A1 (0.43) MAPTALDH1A1HIF1AHSD17B10POLB

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-1909575-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES ChemoCentryx Inc (US) 2008-04-16 EP disclosed
US-20070021484-A1 Substituted N-cinnamyl benzamides CHEMOCENTRYX, INC. (US) 2007-01-25 US disclosed
WO-2007002842-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES CHEMOCENTRYX, INC. (US) 2007-01-04 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-20070021484-A1 Substituted N-cinnamyl benzamides BRDT, BCCIP, NAT10 TDP1 4151/4885MAPT 4491/4885ALDH1A1 244/4885

“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.