SCHEMBL20136606

SCHEMBL20136606

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.42
POLB P06746 2/20 0.42
SLC6A2 P23975 5/20 0.41
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
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR4A2 P43354 2/20 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
SCHEMBL20136607 0.82 CA12 (0.40) SLC6A3POLBSLC6A2CA12CA1
SCHEMBL27617877 0.76 ALDH1A1 (0.56) SLC6A3POLBSLC6A2KMT2AMAPT
SCHEMBL21474580 0.72 SLC6A3 (0.44) SLC6A3SLC6A2CA12CA9KMT2A
SCHEMBL4867460 0.71 NPC1 (0.41) SLC6A3SLC6A2MAPTNPC1RAB9A
SCHEMBL17443406 0.68 TSHR (0.38) SLC6A3KMT2A
SCHEMBL22871253 0.67 BCAT2 (0.45) POLBKMT2AMAPTMEN1HTT
SCHEMBL517538 0.67 CA12 (0.61) POLBCA12CA1CA2CA7
SCHEMBL10932406 0.67 ALDH1A1 (0.52) SLC6A3POLBSLC6A2KMT2AMAPT
SCHEMBL20722748 0.67 KDM4E (0.35) SLC6A3SLC6A2KMT2AMAPTRAB9A
SCHEMBL30968495 0.67 KDM4E (0.35) SLC6A3SLC6A2KMT2AMAPTRAB9A

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 SLC6A3 4757/4885POLB 2931/4885SLC6A2 4802/4885
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis ACOX3, ACOT7, ACOX1 SLC6A3 4762/4885POLB 2950/4885SLC6A2 4805/4885

“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.