SCHEMBL3767577

SCHEMBL3767577

O=C(C=CC1=CC(O)C(O)(NS(=O)(=O)c2ccccc2)C=C1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MAOB P27338 2/20 0.37
PLIN1 O60240 1/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.37
TNFRSF1A P19438 1/20 0.37
ACHE P22303 1/20 0.37
RECQL P46063 1/20 0.37
PLIN5 Q00G26 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ABHD5 Q8WTS1 1/20 0.37
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL3897331 0.94 KMT2A (0.41) MAPTMAOBPLIN1LMNABCHE
SCHEMBL3895890 0.93 KMT2A (0.41) MAPTMAOBPLIN1LMNABCHE
SCHEMBL3899598 0.93 ALDH1A1 (0.43) MAPTLMNARECQLCYP1B1KDM4E
SCHEMBL3891424 0.91 PKM (0.38) MAPTHDAC4HDAC1HDAC3HDAC7
SCHEMBL3902581 0.90 MAOB (0.47) MAPTMAOBBCHECYP1B1P4HB
SCHEMBL3890483 0.86 MAPT (0.33) MAPTMAOBPLIN1LMNABCHE
SCHEMBL5324147 0.76 MAPT (0.38) MAPTMAOBPLIN1LMNABCHE
SCHEMBL5323475 0.76 CYP1B1 (0.47) MAPTMAOBPLIN1LMNABCHE
SCHEMBL28068325 0.71 MAPT (0.44) MAPTMAOBPLIN1LMNABCHE
SCHEMBL27840781 0.71 KMT2A (0.42) MAPTMAOBPLIN1LMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851654-B2 Chalcone derivatives, pharmaceutically acceptable salt, method for preparation and uses thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2010-12-14 US disclosed
US-20090252694-A1 Novel Chalcone Derivatives, Pharmaceutically Acceptable Salt, Method for Preparation and Uses Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSTIY (KR) 2009-10-08 US disclosed
EP-2099440-A1 METHOD FOR SCREENING ANTI-CANCER COMPOUNDS INHIBITING FUNCTION OF TM4SF5 AND ANTI-CANCER COMPOSITION CONTAINING CHALCONE COMPOUNDS Seoul National University Industry Foundation (KR) 2009-09-16 EP disclosed
WO-2008069608-A1 METHOD FOR SCREENING ANTI-CANCER COMPOUNDS INHIBITING FUNCTION OF TM4SF5 AND ANTI-CANCER COMPOSITION CONTAINING CHALCONE COMPOUNDS SEOUL NATIONALUNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-12 WO 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-20090252694-A1 Novel Chalcone Derivatives, Pharmaceutically Acceptable Salt, Method for Preparation and Uses Thereof TYR, CYP21A2, CMA1 MAPT 4199/4885MAOB 188/4885PLIN1 2608/4885

“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.