SCHEMBL3445149

SCHEMBL3445149

CC[C@H](CO)NNCc1ccc(OC)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
ALOX12 P18054 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46
TUBA1B P68363 4/20 0.46
TUBA4A P68366 4/20 0.46
TUBB4B P68371 4/20 0.46
TUBB3 Q13509 4/20 0.46
TUBB2A Q13885 4/20 0.46
TUBB8 Q3ZCM7 4/20 0.46
TUBA3E Q6PEY2 4/20 0.46
TUBA1A Q71U36 4/20 0.46
TUBA1C Q9BQE3 4/20 0.46
TUBB6 Q9BUF5 4/20 0.46
TUBB2B Q9BVA1 4/20 0.46
TUBB1 Q9H4B7 4/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL3445144 0.77 ALOX15 (0.48) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL3568122 0.73 TUBB4A (0.60) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL28311819 0.71 TRPV1 (0.57) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL10068659 0.71 TRPV1 (0.57) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL8532510 0.71 ALOX15 (0.62) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL11696442 0.71 ALOX15 (0.54) ALOX15ALOX12TUBB4ATUBBTUBA3C
Alcohol SCHEMBL29288212 0.71 CYP1A2 (0.61) ALOX15ALOX12TUBB4ATUBBTUBA3C
SCHEMBL30873035 0.71 ALOX15 (0.57) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL27182644 0.71 ALOX15 (0.57) ALOX15ALOX12TRPV1TUBB4ATUBB
SCHEMBL109505 0.70 CYP1A2 (0.65) ALOX15ALOX12TUBB4ATUBBTUBA3C

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-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 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-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 ALOX15 1017/4885ALOX12 1219/4885TRPV1 1500/4885

“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.