SCHEMBL13045015

SCHEMBL13045015

Cc1cc(OCC(C)C)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
XDH P47989 2/20 0.39
MAOA P21397 1/20 0.39
TSHR P16473 2/20 0.38
GRM5 P41594 2/20 0.38
TARBP2 Q15633 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TLR8 Q9NR97 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL12764023 0.78 ESR1 (0.45) LMNAPOLBMEN1HTTKMT2A
SCHEMBL17662575 0.78 MAOA (0.49) LMNAPOLBMEN1HTTKMT2A
SCHEMBL14465626 0.77 KMT2A (0.40) LMNAPOLBHTTKMT2AMAOA
SCHEMBL11308063 0.75 SMN1; SMN2 (0.49) LMNASMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL2608841 0.74 TSHR (0.42) LMNAPOLBMEN1HTTKMT2A
SCHEMBL25329694 0.72 CA1 (0.41) LMNAPOLBKMT2ASMN1; SMN2L3MBTL1
SCHEMBL18559996 0.72 ALDH1A1 (0.53) LMNAPOLBMAOATSHRALDH1A1
SCHEMBL15985645 0.72 MAOA (0.39) LMNAPOLBNPSR1MAOAALDH1A1
SCHEMBL21325182 0.71 SCN4A (0.64)
SCHEMBL13155576 0.71 MAPT (0.48) POLBTSHRALDH1A1HPGDMAPT

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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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 (2 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B LMNA 4099/4885POLB 15/4885MEN1 4767/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 LMNA 3018/4885POLB 4234/4885MEN1 4405/4885

“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.