SCHEMBL12834989

SCHEMBL12834989

Cc1ccc(OCCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 1.00
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
ATM Q13315 1/20 0.76
HTT P42858 1/20 0.72
POLB P06746 1/20 0.72
KDM4E B2RXH2 2/20 0.71
LMNA P02545 1/20 0.71
NOS1 P29475 2/20 0.68
TBXAS1 P24557 2/20 0.66
ALDH1A1 P00352 1/20 0.66

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
SCHEMBL10200145 0.95 QPCT (0.91) QPCTKMT2AMEN1ATMHTT
SCHEMBL12835094 0.94 QPCT (0.89) QPCTKMT2AMEN1ATMKDM4E
SCHEMBL13246359 0.92 QPCT (0.85) QPCTKMT2AMEN1ATMPOLB
Hydrochloric Acid SCHEMBL2529362 0.90 MEN1 (0.85) QPCTKMT2AMEN1ATMHTT
SCHEMBL13246337 0.88 QPCT (0.78) QPCTKMT2AMEN1ATMHTT
SCHEMBL13246341 0.87 QPCT (0.76) QPCTKMT2AMEN1ATMHTT
SCHEMBL10457427 0.84 QPCT (0.73) QPCTKMT2AMEN1ATMHTT
SCHEMBL18837209 0.84 QPCT (0.73) QPCTKMT2AMEN1ATMHTT
SCHEMBL8684902 0.84 QPCT (0.73) QPCTKMT2AMEN1ATMPOLB
SCHEMBL6302835 0.84 QPCT (0.73) QPCTKMT2AMEN1ATMHTT

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-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US 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
US-20080182866-A1 Tetra-Cyclic Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS , INC. A CORPORATION 2008-07-31 US disclosed
US-20080182866-A1 Tetra-Cyclic Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS , INC. A CORPORATION 2008-07-31 US 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 (4 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 QPCT 267/4885KMT2A 1179/4885MEN1 3024/4885
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 QPCT 1290/4885KMT2A 3947/4885MEN1 4693/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF QPCT 106/4885KMT2A 929/4885MEN1 4147/4885
US-20080182866-A1 Tetra-Cyclic Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, TEK, FLT4 QPCT 685/4885KMT2A 3341/4885MEN1 2698/4885

“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.