SCHEMBL6040447

SCHEMBL6040447

COc1cc(OC)c(-c2nccs2)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMPD3 Q9NY59 1/20 0.47
ECE1 P42892 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38

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
SCHEMBL7054724 0.78 SMPD3 (0.52) ALDH1A1KDM4ETSHRTDP1SMPD3
SCHEMBL15194108 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRTDP1SMPD3
SCHEMBL26259909 0.78 SMPD3 (0.54) ALDH1A1KDM4ESMPD3ECE1TUBB4A
SCHEMBL4241201 0.75 ERN1 (0.46) ALDH1A1KDM4ESMPD3MAPTRAB9A
SCHEMBL6040692 0.75 ABCG2 (0.55) TDP1
SCHEMBL6040699 0.75 ABCG2 (0.55) TDP1
SCHEMBL23108267 0.72 CA1 (0.46) ALDH1A1KDM4ETDP1SMPD3ECE1
SCHEMBL5560733 0.72 TNFRSF1A (0.57) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL30441936 0.71 SMPD3 (0.50) ALDH1A1KDM4ESMPD3ECE1HPGD
SCHEMBL29561802 0.71 CYP1A1 (0.59) ALDH1A1KDM4ESMPD3HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
CN-1596240-A Chalcone derivatives and their use for the treatment of diseases ATHEROGENICS INC (US) 2005-03-16 CN disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 ALDH1A1 1770/4885KDM4E 2298/4885TSHR 3448/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ALDH1A1 828/4885KDM4E 3020/4885TSHR 3877/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ALDH1A1 792/4885KDM4E 2896/4885TSHR 3314/4885

“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.