SCHEMBL4602697

SCHEMBL4602697

[CH2]c1cc(OC)cc(OCCCOC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
AHR P35869 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 1/20 0.39
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAOA P21397 2/20 0.35

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
SCHEMBL4604574 0.90 ALDH1A1 (0.44) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL16951158 0.85 AHR (0.56) ALDH1A1AHRMAOAMAOBCNR1
SCHEMBL4602701 0.82 ALDH1A1 (0.44) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL425611 0.81 ALDH1A1 (0.42) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL88959 0.79 ALDH1A1 (0.44) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL4168797 0.79 ALDH1A1 (0.55) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL41250 0.78 ALDH1A1 (0.69) ALDH1A1AHRCYP1A2CYP2C19CYP2D6
SCHEMBL3075017 0.78 ALDH1A1 (0.39) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL90334 0.78 CNR1 (0.40) ALDH1A1AHRCYP1A2CYP2C19MAPK1
SCHEMBL8264192 0.78 MAOB (0.41) ALDH1A1AHRCYP1A2CYP2C19MAPK1

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
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 ALDH1A1 13/4885AHR 2536/4885CYP1A2 136/4885

“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.