SCHEMBL4353043

SCHEMBL4353043

COc1cc2c(cc1OC)C(Cc1ccc(-c3cnccc3OC)cc1)N(C)CC2

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HSD17B10 Q99714 2/20 0.65
MAPK1 P28482 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALOX15 P16050 1/20 0.65
KCNH2 Q12809 2/20 0.57
KMT2A Q03164 1/20 0.56
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
KCNN1 Q92952 1/20 0.52
KCNN2 Q9H2S1 1/20 0.52
KCNN3 Q9UGI6 1/20 0.52

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
Hydrochloric Acid SCHEMBL4349771 0.99 LMNA (0.64) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL14205220 0.89 LMNA (0.53) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL1229959 0.88 KDM4E (0.48) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL14178703 0.87 HCRTR1 (0.51) LMNAKDM4EALDH1A1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL148164 0.82 BCHE (0.48) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL4990955 0.82 LMNA (0.63) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL4345347 0.82 CYP2D6 (0.58) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL14205397 0.82 LMNA (0.54) LMNAKDM4EALDH1A1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL4342239 0.81 LMNA (0.62) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL12807818 0.80 LMNA (0.81) LMNAKDM4EALDH1A1HSD17B10MAPK1

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-8507523-B2 anticarcinogenic agents such as 6,7-dimethoxy-1-(4-pyridin-4-ylbenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride salt, used for treating gliomas or retinoblastomas; side effect reduction THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2013-08-13 US disclosed
US-8507523-B2 anticarcinogenic agents such as 6,7-dimethoxy-1-(4-pyridin-4-ylbenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride salt, used for treating gliomas or retinoblastomas; side effect reduction THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2013-08-13 US disclosed
US-8507523-B2 anticarcinogenic agents such as 6,7-dimethoxy-1-(4-pyridin-4-ylbenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride salt, used for treating gliomas or retinoblastomas; side effect reduction THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2013-08-13 US disclosed
EP-2099303-A1 THERAPEUTIC TETRAHYDROISOQUINOLINE-BASED COMPOSITIONS FOR CANCER THERAPY The University of Tennessee Research Foundation (US) 2009-09-16 EP disclosed
US-20080146597-A1 Therapeutic Tetrahydroisoquinoline-Based Compositions for Cancer Therapy UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-06-19 US disclosed
US-20080146597-A1 Therapeutic Tetrahydroisoquinoline-Based Compositions for Cancer Therapy UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-06-19 US disclosed
US-20080146597-A1 Therapeutic Tetrahydroisoquinoline-Based Compositions for Cancer Therapy UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-06-19 US disclosed
WO-2008064329-A1 THERAPEUTIC TETRAHYDROISOQUINOLINE-BASED COMPOSITIONS FOR CANCER THERAPY UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-05-29 WO disclosed
WO-2008064329-A1 THERAPEUTIC TETRAHYDROISOQUINOLINE-BASED COMPOSITIONS FOR CANCER THERAPY UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-05-29 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 (1 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-20080146597-A1 Therapeutic Tetrahydroisoquinoline-Based Compositions for Cancer Therapy TP53, MCL1, HRAS LMNA 3120/4885KDM4E 1769/4885ALDH1A1 1789/4885

“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.