SCHEMBL20136607

SCHEMBL20136607

COC(=O)C1=C(O)c2c(Br)cccc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 1/20 0.36
SLC6A3 Q01959 9/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 3/20 0.34

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
SCHEMBL20136606 0.82 SLC6A3 (0.42) CA12CA1CA2CA7CA9
SCHEMBL27617877 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDL3MBTL1ABCB1
SCHEMBL12447829 0.72 PARP10 (0.39) CA12CA1CA2CA7CA9
SCHEMBL4867460 0.71 NPC1 (0.41) ALDH1A1KDM4EHPGDABCB1SLC6A3
SCHEMBL28121136 0.70 TSHR (0.35) CA1CA2CA7CA9ALDH1A1
SCHEMBL851838 0.67 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10932406 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDL3MBTL1SLC6A3
SCHEMBL12389716 0.67 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL21474580 0.66 SLC6A3 (0.44) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL1150797 0.65 KDM4E (0.38) CA1CA2CA7CA9KDM4E

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-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-03-19 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 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-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS ACOX3, ACOT7, ACOX1 CA12 364/4885CA1 979/4885CA2 498/4885
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis ACOX3, ACOT7, ACOX1 CA12 357/4885CA1 976/4885CA2 501/4885

“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.