SCHEMBL4637282

SCHEMBL4637282

COc1c(C)cc(NCCCO)cc1NCCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
PDE5A O76074 1/20 0.40
BRD4 O60885 1/20 0.37
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 4/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL108260 0.90 ALDH1A1 (0.42) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL3115134 0.81 KDM4E (0.40) ALDH1A1BRD4KDM4EMEN1KMT2A
SCHEMBL15058572 0.79 ALDH1A1 (0.38) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL5550162 0.77 ALDH1A1 (0.36) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL6258436 0.75 ALDH1A1 (0.38) ALDH1A1BRD4KDM4EPOLBMEN1
SCHEMBL15058573 0.74 CTSL (0.31) ALDH1A1CTSLCTSSCTSK
SCHEMBL11118508 0.73 KDR (0.45) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL31472460 0.73 ALDH1A1 (0.45) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL9255856 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL8284428 0.70 HPGD (0.58) ALDH1A1BRD4CYP3A4KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1629824-B1 New coupler components HENKEL KGAA (DE) 2008-04-30 EP claimed
US-7211119-B2 Coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-01 US claimed
EP-1629824-B1 New coupler components HENKEL KGAA (DE) 2008-04-30 EP disclosed
US-7211119-B2 Coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-01 US disclosed
EP-1629824-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-01 EP disclosed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 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-20060000032-A1 Novel coupling components KRT18, C9, H1-4 ALDH1A1 450/4885CASP3 2248/4885SENP8 4651/4885

“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.