SCHEMBL4867955

SCHEMBL4867955

CCOC(=O)c1cc(I)cc(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA7 P43166 6/20 0.47
CA9 Q16790 6/20 0.47
CA14 Q9ULX7 6/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25756238 0.86 TTR (0.48) CA12CA1CA2CA7CA9
SCHEMBL23803718 0.85 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL2353595 0.82 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10627374 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL5809914 0.81 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8117147 0.79 RXFP1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL27694753 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4149582 0.77 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL1840091 0.77 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL22014240 0.77 TSHR (0.48) CA12CA1CA2CA7CA9

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-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
WO-2007005531-A2 ALKENYLDIARYLMETHANES, FUSED ANALOGS AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-01-11 WO 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-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof POLRMT, PNP, TYMS CA12 4853/4885CA1 4837/4885CA2 4866/4885

“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.