SCHEMBL6403168

SCHEMBL6403168

O=C(O)c1ccc(Sc2ccc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.46
DAO P14920 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
SCHEMBL689927 0.84 HPGD (0.69) CES2CES1ALDH1A1HPGDKDM4E
SCHEMBL20591211 0.84 HPGD (0.70) SIRT2SIRT1SIRT3CES2CES1
SCHEMBL5631937 0.82 RXRA (0.48) ALDH1A1HPGDKDM4ERARBRARG
SCHEMBL3281214 0.82 LMNA (0.52) SIRT2SIRT1SIRT3ALDH1A1HPGD
SCHEMBL15220063 0.82 TSHR (0.67) CES2CES1ALDH1A1HPGDKDM4E
SCHEMBL15220060 0.82 TSHR (0.67) CES2CES1ALDH1A1HPGDKDM4E
SCHEMBL71112 0.82 TSHR (0.67) CES2CES1ALDH1A1HPGDKDM4E
Beta-Naphtoic Acid SCHEMBL9008562 0.80 CES2 (0.65) CES2CES1ALDH1A1HPGDKDM4E
Beta-Naphtoic Acid SCHEMBL29628843 0.80 CES2 (0.71) CES2CES1ALDH1A1HPGDKDM4E
Beta-Naphtoic Acid SCHEMBL98296 0.80 CES2 (0.71) CES2CES1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient TEIJIN LIMITED 2005-02-03 US disclosed
US-20030220402-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredients TEIJIN LIMITED (JP) 2003-11-27 US disclosed
EP-1256341-A1 CANCER REMEDY COMPRISING ANTHRANILIC ACID DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-11-13 EP disclosed
CN-1048239-C Naphthalene deriv. TEIJIN LTD (JP) 2000-01-12 CN disclosed
EP-0763523-B1 NAPHTHALENE DERIVATIVE TEIJIN LTD (JP) 1999-10-13 EP disclosed
US-5945450-A ANTIALLERGENS TEIJIN LIMITED (JP) 1999-08-31 US disclosed
CN-1153511-A Naphthalene deriv. TEIJIN LTD (JP) 1997-07-02 CN disclosed
EP-0763523-A1 NAPHTHALENE DERIVATIVE TEIJIN LIMITED (JP) 1997-03-19 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 (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-20030220402-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredients HCCS, BCOR, CBR1 SIRT2 1233/4885SIRT1 1272/4885SIRT3 1329/4885
US-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient CA9, HCCS, CA7 SIRT2 1004/4885SIRT1 1273/4885SIRT3 748/4885

“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.