SCHEMBL2884559

SCHEMBL2884559

COC(=O)c1cc2c(cc1O)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
PDK2 Q15119 2/20 0.50
PDK4 Q16654 2/20 0.50
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 3/20 0.46
XDH P47989 2/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL26829548 0.84 ATM (0.46) CA12CA1CA2CA7CA9
SCHEMBL8195367 0.81 KDM4E (0.57) CA12CA1CA2CA7CA9
SCHEMBL1091896 0.80 MAOA (0.45) CA12CA1CA2CA7CA9
SCHEMBL2478058 0.80 KDM4E (0.56) GAAL3MBTL1KDM4ENFKB1NFKB2
SCHEMBL1109633 0.80 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL21468462 0.79 KDM4E (0.54) GAAL3MBTL1KDM4ENFKB1NFKB2
SCHEMBL4041645 0.79 HTT (0.47) CA9GAALMNAL3MBTL1KDM4E
SCHEMBL10881982 0.78 MAPT (0.61) CA12CA1CA2CA7CA9
SCHEMBL1538335 0.78 CA12 (0.63) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL10884801 0.77 MAPT (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
EP-1368335-A2 NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070510-A2 AMINO DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
EP-0109815-B1 IMPROVEMENTS IN AND RELATING TO SUBSTITUTED TETRAHYDRONA PHTHALENES ELI LILLY AND COMPANY (US) 1986-05-28 EP disclosed
US-4500545-A HYPOTENSIVE, ANTISECRETORY AGENTS, AND DOPAMINE ANTAGONIST ELI LILLY AND COMPANY (US) 1985-02-19 US disclosed
EP-0109815-A1 Improvements in and relating to substituted tetrahydrona phthalenes ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4448990-A Hydroxyaminotetralincarboxamides ELI LILLY AND COMPANY (US) 1984-05-15 US disclosed
US-4254056-A ANTIINFLAMMATORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-03-03 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-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties ABAT, BCAT2, GOT1 CA12 1423/4885CA1 863/4885CA2 140/4885
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC CA12 1384/4885CA1 1919/4885CA2 341/4885

“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.