SCHEMBL2269412

SCHEMBL2269412

CCOC(=O)c1cc(C)c(C)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL14409745 0.87 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL4625850 0.86 TSHR (0.61) TSHRCA12CA1CA2CA7
SCHEMBL16302043 0.81 TSHR (0.61) TSHRCA12CA1CA2CA7
SCHEMBL23767907 0.80 CA12 (0.56) TSHRCA12CA1CA2CA7
SCHEMBL277628 0.80 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL23817414 0.80 TSHR (0.40) TSHRCA12CA1CA2CA7
SCHEMBL1852703 0.78 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL14048740 0.78 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL28039456 0.78 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL28639005 0.78 TSHR (0.45) TSHRCA12CA1CA2CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 US disclosed
WO-2011085039-A2 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 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-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES EP300, HDAC1, KAT2A TSHR 3344/4885CA12 1423/4885CA1 2815/4885

“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.