SCHEMBL3505441

SCHEMBL3505441

CCCN1CCc2cc(OC)c(O)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 3/20 0.70
ABCB1 P08183 2/20 0.66
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
DRD3 P35462 9/20 0.57
DRD4 P21917 8/20 0.57
DRD1 P21728 4/20 0.57
DRD2 P14416 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL13249664 0.92 ABCB1 (0.75) DHCR7ABCB1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL3509028 0.91 ABCB1 (0.73) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL25568846 0.90 ABCB1 (0.80) DHCR7ABCB1KDM4EGAAMAPT
SCHEMBL14739822 0.89 ABCB1 (0.80) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL14739726 0.89 ABCB1 (0.80) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL14739918 0.89 ABCB1 (0.80) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL3506070 0.88 CA2 (0.67) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL14739580 0.82 DHCR7 (1.00) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL3504140 0.82 DHCR7 (0.79) DHCR7ABCB1CA2CA9KDM4E
SCHEMBL14740106 0.81 DHCR7 (1.00) DHCR7ABCB1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552028-B2 8-phenylisoquinolines and pharmaceutical composition used in treatment for sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-10-08 US disclosed
US-8552028-B2 8-phenylisoquinolines and pharmaceutical composition used in treatment for sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-10-08 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 US disclosed
US-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2010-08-26 US disclosed
US-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2010-08-26 US disclosed
EP-2117547-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES University Of Ulsan Foundation For Industry Cooperation (KR) 2009-11-18 EP disclosed
WO-2008069632-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) 2008-06-12 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 (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-20100217003-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES NFKBIA, HMOX1, PTGS1 DHCR7 1625/4885ABCB1 1589/4885CA2 3608/4885
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 DHCR7 760/4885ABCB1 275/4885CA2 4290/4885

“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.