SCHEMBL5193466

SCHEMBL5193466

COc1ccc2c(C)c(C(C)(C)C)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.53
▸ ALDH1A1 P00352 7/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ HSD17B10 Q99714 5/20 0.47
▸ DYRK1A Q13627 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HTR7 P34969 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MAOA P21397 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR6 P50406 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47

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
SCHEMBL5196745 0.79 KDM4E (0.59) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL31498186 0.79 KDM4E (0.59) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL21100920 0.77 KIF11 (0.56) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL5197622 0.76 ALDH1A1 (0.50) KDM4EALDH1A1RXFP1HSD17B10HPGD
SCHEMBL2330779 0.76 KDM4E (0.68) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL29533596 0.76 KDM4E (0.68) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL31756633 0.75 KIF11 (0.62) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL436095 0.75 KDM4E (0.63) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL1120906 0.73 KDM4E (0.61) KDM4EALDH1A1RXFP1HSD17B10DYRK1A
SCHEMBL1144751 0.72 GPR17 (0.64) KDM4EALDH1A1RXFP1HSD17B10HPGD

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
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 — — EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 — — US disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 — — US disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 — — US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 — — US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 — — 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH KDM4E 3207/4885ALDH1A1 1438/4885RXFP1 217/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 KDM4E 1397/4885ALDH1A1 1990/4885RXFP1 437/4885

“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.

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