SCHEMBL14403149

SCHEMBL14403149

O=CCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 10/20 0.68
▸ CA9 Q16790 10/20 0.68
▸ CA1 P00915 9/20 0.68
▸ CA6 P23280 5/20 0.68
▸ CA7 P43166 5/20 0.68
▸ CA14 Q9ULX7 5/20 0.68
▸ CA4 P22748 5/20 0.68
▸ CA5B Q9Y2D0 3/20 0.68
▸ CA2 P00918 3/20 0.68
▸ CA5A P35218 3/20 0.68
▸ CA3 P07451 3/20 0.68
▸ CYP1A2 P05177 1/20 0.63
▸ MAOB P27338 7/20 0.62
▸ MAOA P21397 6/20 0.62
▸ MTNR1A P48039 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ NPC1 O15118 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL12304245 0.87 CA12 (0.81) CA12CA9CA1CA6CA7
SCHEMBL5662843 0.87 CA12 (0.74) CA12CA9CA1CA6CA7
SCHEMBL4390495 0.84 CA12 (0.75) CA12CA9CA1CA6CA7
SCHEMBL24045405 0.84 CA12 (0.82) CA12CA9CA1CA6CA7
SCHEMBL20005597 0.81 CA12 (0.72) CA12CA9CA1CA6CA7
SCHEMBL9214643 0.81 CA12 (0.77) CA12CA9CA1CA6CA7
SCHEMBL6590585 0.81 CA12 (0.72) CA12CA9CA1CA6CA7
SCHEMBL8515810 0.81 CA12 (1.00) CA12CA9CA1CA6CA7
SCHEMBL31086804 0.81 CA12 (0.77) CA12CA9CA1CA6CA7
SCHEMBL6834561 0.81 CA12 (1.00) CA12CA9CA1CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1285086-B1 METHOD FOR LIBERATING A PRODUCT COMPRISING A CHEMICAL OXYDATION, DETECTION OF THE PRODUCT AND FURTHER APPLICATIONS PROTEUS (FR) 2013-07-03 — — EP disclosed
US-20070231820-A1 P450 ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS OF MAKING AND USING THEM DIVERSA CORPORATION (US) 2007-10-04 — — US disclosed
US-7258972-B2 Process for generating the idiosyncratic catalytic imprint of a sample, the processing of said imprint and the systems for implementation thereof PROTEUS (FR) 2007-08-21 — — US disclosed
US-7232672-B2 P450 enzymes, nucleic acids encoding them and methods of making and using them DIVERSA CORPORATION (US) 2007-06-19 — — 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-20070231820-A1 P450 ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS OF MAKING AND USING THEM CYP2F1, CYP21A2, CYP2E1 CA12 2416/4885CA9 1939/4885CA1 2139/4885

“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.

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