SCHEMBL3813245

SCHEMBL3813245

O=C1CCCCC2C3C=CC(CC3)C12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
KMT2A Q03164 2/20 0.38
TLR4 O00206 1/20 0.35
POLB P06746 2/20 0.34
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14159804 0.94 POLB (0.35) CA1CA2CA4KMT2APOLB
SCHEMBL9409642 0.94 POLB (0.35) CA1CA2CA4KMT2APOLB
SCHEMBL27053573 0.85 POLB (0.37) KMT2APOLBAPEX1RECQLTDP1
SCHEMBL2038990 0.80 ALDH1A1 (0.39) KMT2APOLBHSD11B1RECQLTDP1
SCHEMBL14284261 0.80 ALDH1A1 (0.39) KMT2APOLBHSD11B1RECQLTDP1
SCHEMBL30879564 0.80 ALDH1A1 (0.39) KMT2APOLBHSD11B1RECQLTDP1
SCHEMBL30288152 0.80 ALDH1A1 (0.39) KMT2APOLBHSD11B1RECQLTDP1
SCHEMBL30288169 0.80 ALDH1A1 (0.39) KMT2APOLBHSD11B1RECQLTDP1
SCHEMBL4951220 0.71 ALDH1A1 (0.42) KMT2APOLBRECQLTDP1L3MBTL1
SCHEMBL22263673 0.69 HSD11B1 (0.41) POLBHSD11B1HSD11B2APEX1TDP1

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-8278311-B2 Substituted pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-29 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-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS CA1 4792/4885CA2 4838/4885CA4 4682/4885

“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.