SCHEMBL13049436

SCHEMBL13049436

CCOC(=O)C1(C)OC1C1=C(Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
MAPT P10636 11/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HKDC1 Q2TB90 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
TNF P01375 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
RUNX1 Q01196 1/20 0.41
CBFB Q13951 1/20 0.41
NOD2 Q9HC29 1/20 0.41
GPR35 Q9HC97 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 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
SCHEMBL13049666 0.82 IDO1 (0.43) IDO1MAPTLMNANPSR1HKDC1
SCHEMBL3752047 0.82 IDO1 (0.43) IDO1MAPTLMNANPSR1HKDC1
SCHEMBL57714 0.74 TSHR (0.49) MAPTALDH1A1NPSR1KDM4EGLA
SCHEMBL20123210 0.69 ATM (0.37) MAPTLMNAALDH1A1NPSR1HKDC1
SCHEMBL13049437 0.69 TUBB4A (0.36) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL3677413 0.69 TUBB4A (0.36) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL16110306 0.69 OPRM1 (0.40) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL10751474 0.67 MAPT (0.64) IDO1MAPTLMNAALDH1A1NPSR1
SCHEMBL16108680 0.66 ALDH1A1 (0.50) LMNAALDH1A1NPSR1KDM4EHPGD
SCHEMBL8945270 0.65 L3MBTL1 (0.34) MAPTLMNAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 IDO1 960/4885MAPT 2625/4885LMNA 4347/4885

“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.