SCHEMBL14739300

SCHEMBL14739300

COc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccc(F)cc2)CC3)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 13/20 0.57
▸ DHCR7 Q9UBM7 3/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ ABCG2 Q9UNQ0 6/20 0.43

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
SCHEMBL14740162 0.94 ABCB1 (0.59) ABCB1DHCR7KMT2AABCG2
SCHEMBL14740386 0.91 ABCB1 (0.53) ABCB1DHCR7ABCG2
SCHEMBL14739412 0.91 DHCR7 (0.60) ABCB1DHCR7ABCG2
SCHEMBL14740199 0.91 ABCB1 (0.53) ABCB1DHCR7KMT2AABCG2
SCHEMBL14739302 0.90 DHCR7 (0.59) ABCB1DHCR7ABCG2
SCHEMBL14740223 0.88 DHCR7 (0.64) ABCB1DHCR7
SCHEMBL21773921 0.87 ABCB1 (0.56) ABCB1DHCR7ABCG2
SCHEMBL14739133 0.86 ABCB1 (0.51) ABCB1DHCR7
SCHEMBL14739101 0.86 ABCB1 (0.52) ABCB1DHCR7
SCHEMBL14739369 0.85 ABCB1 (0.45) ABCB1DHCR7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589626-B1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME UNIV NAT TAIWAN (TW) 2024-06-12 — — EP disclosed
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME NATIONAL TAIWAN UNIVERSITY (TW) 2020-03-05 — — 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

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-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 ABCB1 275/4885DHCR7 760/4885KMT2A 3232/4885
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME HTR7, GPR27, HTR5A ABCB1 328/4885DHCR7 1398/4885KMT2A 4090/4885

“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.

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