SCHEMBL773229

SCHEMBL773229

CC1(C)Cc2cccc(OCC(O)CN)c2O1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.59
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 2/20 0.48

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
SCHEMBL6728913 0.87 PKM (0.60) PKMALOX15MAPK1KDM4EHTT
SCHEMBL6732655 0.84 SMN1; SMN2 (0.56) PKMALOX15MAPK1KDM4EHTT
SCHEMBL4189649 0.80 NPC1 (0.55) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5783680 0.78 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL31276466 0.77 NPC1 (0.58) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL28514264 0.76 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL17525886 0.75 NPC1 (0.56) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5495355 0.75 ALDH1A1 (0.68) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL6734167 0.75 POLB (0.62) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3183533 0.75 NPC1 (0.56) GAAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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 (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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP PKM 938/4885ALOX15 1055/4885MAPK1 364/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP PKM 938/4885ALOX15 1055/4885MAPK1 364/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP PKM 938/4885ALOX15 1055/4885MAPK1 364/4885

“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.