SCHEMBL353599

SCHEMBL353599

COC(=O)c1ccc2c(c1)C(O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TRPA1 O75762 2/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL29654161 1.00 KMT2A (0.45) KMT2ACA12CA1CA2CA7
SCHEMBL22997538 1.00 KMT2A (0.45) KMT2ACA12CA1CA2CA7
SCHEMBL8519912 0.97 KMT2A (0.43) KMT2ACA12CA1CA2CA7
SCHEMBL785024 0.91 CA12 (0.45) KMT2ACA12CA1CA2CA7
SCHEMBL1726266 0.88 CHRNB2 (0.46) KMT2ACA12CA1CA2CA7
SCHEMBL1726267 0.88 CHRNB2 (0.46) KMT2ACA12CA1CA2CA7
SCHEMBL15235464 0.85 KMT2A (0.45) KMT2ACA12CA1CA2CA7
SCHEMBL7456002 0.84 KMT2A (0.44) KMT2ACA12CA1CA2CA7
SCHEMBL16499649 0.84 CHRNB2 (0.45) KMT2ACA12CA1CA2CA7
SCHEMBL2817021 0.84 ACHE (0.55) KMT2ACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP disclosed
EP-0931086-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2002-05-02 — — EP disclosed
WO-2000068230-A1 9-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)-1,9-DIHYDROPURIN-6-ONE DERIVATIVES AS PDE7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2000-11-16 — — WO disclosed
US-6133240-A INHIBITION OF SELECTINS, AND THUS OF CELL ADHESION DARWIN DISCOVERY, LTD. (GB) 2000-10-17 — — US disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 — — EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 — — US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 — — EP 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 (3 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KMT2A 2505/4885CA12 4696/4885CA1 4058/4885
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KMT2A 37/4885CA12 1553/4885CA1 506/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KMT2A 62/4885CA12 2004/4885CA1 725/4885

“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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