SCHEMBL5151902

SCHEMBL5151902

CCOC1OC(OCC)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1B P35368 1/20 0.32
RET P07949 1/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21701103 0.83 GPR3 (0.33) THRBMAPK1HTR2AHTR2CADRA2A
SCHEMBL14364126 0.79 TSHR (0.42) MAPK1TSHRALDH1A1TP53
SCHEMBL29309181 0.77 ALDH1A1 (0.41) HTR2CHTR2BTSHRALDH1A1HTT
SCHEMBL14364124 0.74 ALDH1A1 (0.39) HTR2AHTR2CALDH1A1MAOAMAOB
SCHEMBL14364127 0.74 HTT (0.35) MAPK1HTR2CTSHRALDH1A1HTT
SCHEMBL30861792 0.73 HSP90AA1 (0.37) HTR2AHTR2CHTR2BTSHRMAOA
SCHEMBL4900253 0.73 HSP90AA1 (0.37) HTR2AHTR2CHTR2BTSHRMAOA
SCHEMBL13302911 0.72 POLB (0.45) THRBMAPK1TSHRALDH1A1POLB
SCHEMBL30408659 0.72 POLB (0.45) THRBMAPK1TSHRALDH1A1POLB
SCHEMBL10616663 0.70 MAPT (0.43) THRBHTR2ATSHRALDH1A1RAB9A

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-1738646-B1 Forming germicidal aromatic dialdehydes with acetals ETHICON INC (US) 2013-03-20 EP disclosed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US disclosed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US disclosed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US disclosed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US disclosed
EP-1738646-A2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-01-03 EP 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-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR THRB 4406/4885MAPK1 4703/4885HTR2A 2778/4885

“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.