SCHEMBL13246331

SCHEMBL13246331

CCN(CC)CC(O)COc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 2/20 0.52
ACHE P22303 1/20 0.52
CDK4 P11802 1/20 0.50
ABCB11 O95342 1/20 0.49
KCNH2 Q12809 1/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 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
SCHEMBL3575066 0.85 POLB (0.57) POLBMAPTKDM4EMAPK1TDP1
SCHEMBL10760842 0.85 POLB (0.78) POLBMAPTKDM4EMAPK1TDP1
SCHEMBL22639742 0.83 CDK4 (0.67) MAPTKDM4ETSHRUSP2ALDH1A1
SCHEMBL19405224 0.83 CDK4 (0.67) MAPTKDM4ETSHRUSP2ALDH1A1
SCHEMBL14189198 0.82 USP2 (0.68) POLBMAPTKDM4ETSHRUSP2
SCHEMBL13246334 0.81 KDM4E (0.55) POLBMAPTKDM4EMAPK1TDP1
SCHEMBL13952042 0.81 POLB (0.78) POLBMAPTKDM4EMAPK1TDP1
SCHEMBL16348229 0.80 TSHR (0.62) POLBMAPTKDM4EMAPK1TSHR
SCHEMBL1496548 0.80 TSHR (0.62) POLBMAPTKDM4EMAPK1TSHR
SCHEMBL21759172 0.80 POLB (0.71) POLBMAPTKDM4EMAPK1TSHR

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-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 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-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL POLB 392/4885MAPT 3101/4885KDM4E 978/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF POLB 625/4885MAPT 2854/4885KDM4E 797/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF POLB 1983/4885MAPT 4804/4885KDM4E 407/4885

“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.