SCHEMBL5109581

SCHEMBL5109581

OCc1cscc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
TSHR P16473 1/20 0.46
CALM1 P0DP23 1/20 0.44
ALOX5 P09917 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2A P28223 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2745137 0.89 CALM1 (0.55) BCL2BCL2L1CALM1ALOX5MEN1
SCHEMBL7390204 0.79 BCL2 (0.57) BCL2BCL2L1CALM1ALOX5MEN1
SCHEMBL1773099 0.78 HTR2A (0.56) BCL2BCL2L1TSHRCALM1ALOX5
SCHEMBL5105991 0.72 CYP2A6 (0.52) BCL2L1TSHRALOX5KMT2ACYP2A6
SCHEMBL1244097 0.72 CALM1 (0.41) BCL2BCL2L1TSHRCALM1ALOX5
SCHEMBL11401184 0.71 BCL2 (0.47) BCL2BCL2L1TSHRCALM1ALOX5
SCHEMBL28330365 0.71 BCL2 (0.52) BCL2BCL2L1TSHRCALM1ALOX5
SCHEMBL972711 0.69 CALM1 (0.69) BCL2BCL2L1CALM1ALOX5MEN1
SCHEMBL5109182 0.68 TSHR (0.43) BCL2BCL2L1TSHRCALM1CYP2A6
SCHEMBL10524083 0.68 BCL2 (0.44) BCL2BCL2L1TSHRCALM1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 BCL2 2718/4885BCL2L1 2298/4885TSHR 2066/4885

“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.