SCHEMBL4409109

SCHEMBL4409109

CCCc1nnnn1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP2C19 P33261 3/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4405841 0.88 ALDH1A1 (0.46) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL4408572 0.86 ALDH1A1 (0.45) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL4407093 0.85 ALDH1A1 (0.44) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL4408287 0.83 ALDH1A1 (0.51) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL1779637 0.82 ALDH1A1 (0.47) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL11175358 0.77 ALDH1A1 (0.50) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL7089605 0.77 ALDH1A1 (0.50) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL4413524 0.77 ALDH1A1 (0.50) ALDH1A1CYP2C19POLBCYP1A2TDP1
SCHEMBL10671615 0.73 ALDH1A1 (0.41) ALDH1A1CYP2C19POLBCYP1A2CYP3A4
SCHEMBL1781143 0.72 ALDH1A1 (0.40) ALDH1A1CYP2C19POLBCYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 ALDH1A1 776/4885CYP2C19 3926/4885POLB 3622/4885

“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.