SCHEMBL9974846

SCHEMBL9974846

C=C(COC)C(=C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
TSHR P16473 2/20 0.39
AKT1 P31749 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3807236 0.83 MAPT (0.38) EGFRTSHRATMTDP1MAPT
SCHEMBL2734464 0.80 EGFR (0.58) EGFRTSHRAKT1ATMMAPT
SCHEMBL58239 0.78 MAOA (0.47) TSHRAKT1MAPTALDH1A1MAPK1
SCHEMBL9047896 0.71 TSHR (0.43) TSHRAKT1ATMMAPTALDH1A1
SCHEMBL50199 0.71 CES1 (0.47) TSHRAKT1ATMTDP1MAPT
SCHEMBL7068869 0.70 TSHR (0.41) TSHRAKT1MAPTMAPK1HTT
SCHEMBL54072 0.70 KMT2A (0.56) TSHRTDP1MAPTALDH1A1MAPK1
SCHEMBL436125 0.70 TSHR (0.41) TSHRAKT1ATMTDP1MAPT
SCHEMBL29875319 0.70 ALDH1A1 (0.41) TSHRAKT1MAPTALDH1A1MAPK1
SCHEMBL8829796 0.69 MAPT (0.46) TSHRAKT1ATMTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 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 (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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE EGFR 335/4885TSHR 2407/4885AKT1 4440/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL EGFR 590/4885TSHR 2423/4885AKT1 4418/4885

“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.