SCHEMBL3220359

SCHEMBL3220359

O=C(NCCN1CCCC1)C1C[CH]CCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3227788 0.94 ALOX15 (0.51) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL3229268 0.86 ALOX15 (0.56) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL19849339 0.81 ALOX15 (0.59) ALOX15ALDH1A1TSHRRECQLSMN1; SMN2
SCHEMBL13661582 0.79 ALOX15 (0.61) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL9795126 0.75 ALOX15 (0.57) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL9795132 0.75 ALOX15 (0.57) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL9795359 0.75 ALOX15 (0.57) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL3224121 0.75 L3MBTL1 (0.45) ALDH1A1TSHRSMN1; SMN2L3MBTL1CYP3A4
SCHEMBL9795189 0.74 ALOX15 (0.56) ALOX15ALDH1A1TSHRRECQLSIGMAR1
SCHEMBL9795327 0.74 ALOX15 (0.56) ALOX15ALDH1A1TSHRRECQLSIGMAR1

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 ALOX15 1967/4885ALDH1A1 518/4885TSHR 4010/4885

“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.