SCHEMBL4246356

SCHEMBL4246356

CCCCN1C=CN(C)C1c1nccn1CCCC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
TLR8 Q9NR97 2/20 0.43
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL17077598 0.72 LPO (0.33) HTT
SCHEMBL27929513 0.71 HSF1 (0.34) ALDH1A1POLBKMT2A
SCHEMBL8866053 0.70 ALDH1A1 (0.51) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL10005373 0.68 ALDH1A1 (0.74) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL4132663 0.67 ALDH1A1 (0.61) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL5284763 0.67 TSHR (0.38) ALDH1A1POLBKMT2ATSHRGAA
SCHEMBL329177 0.67 ALDH1A1 (1.00) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL28276561 0.67 ALDH1A1 (1.00) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL16607611 0.65 ALDH1A1 (0.63) ALDH1A1POLBKMT2ATLR8LMNA
SCHEMBL2936161 0.65 ALDH1A1 (0.69) ALDH1A1POLBKMT2ATLR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed

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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT ALDH1A1 4028/4885POLB 697/4885KMT2A 1556/4885

“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.