SCHEMBL14950604

SCHEMBL14950604

Cc1cc(-c2cc(C)c(-c3cc(C)c(-c4cc(C)c(-c5cc(C)c(-c6cc(C)c(-c7cc(C)c(-c8cc(C)c(-c9cc(O)c(C(=O)O)cc9C)cc8C)cc7C)cc6C)cc5C)cc4C)cc3C)cc2C)c(C)cc1-c1ccc(C(=O)O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.53
ACMSD Q8TDX5 1/20 0.53
MCL1 Q07820 3/20 0.53
ALDH1A1 P00352 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
XDH P47989 5/20 0.45
SLC22A12 Q96S37 5/20 0.45
MYC P01106 1/20 0.44
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
ELANE P08246 1/20 0.44
MMP9 P14780 1/20 0.44
DUSP3 P51452 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL14950611 1.00 HNF4A (0.53) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14950615 1.00 HNF4A (0.53) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14950612 1.00 HNF4A (0.53) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14866627 0.95 HNF4A (0.58) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14866699 0.95 HNF4A (0.58) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14866513 0.95 HNF4A (0.58) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL18719617 0.93 HNF4A (0.56) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14866795 0.93 HNF4A (0.59) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14947547 0.92 HNF4A (0.49) HNF4AACMSDMCL1ALDH1A1CA12
SCHEMBL14947559 0.92 HNF4A (0.49) HNF4AACMSDMCL1ALDH1A1CA12

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-20130122297-A1 MOLECULAR GAUGE BLOCKS FOR BUILDING ON THE NANOSCALE NORTHWESTERN UNIVERSITY (US) 2013-05-16 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-20130122297-A1 MOLECULAR GAUGE BLOCKS FOR BUILDING ON THE NANOSCALE POF1B, PCNA, OGG1 HNF4A 3504/4885ACMSD 3457/4885MCL1 2587/4885

“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.