SCHEMBL6014062

SCHEMBL6014062

CCC(C)OC1CCCCO1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17267078 1.00 SHBG (0.30) SHBGMEN1KMT2A
SCHEMBL12671470 0.88
SCHEMBL4173310 0.85 ALDH1A1 (0.32)
SCHEMBL30400959 0.85 ALDH1A1 (0.32)
SCHEMBL2380317 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL6253583 0.83
SCHEMBL2380320 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL2381805 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL6253588 0.83
SCHEMBL2380315 0.83 MEN1 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017022861-A1 SUBSTITUTED GUANIDINE DERIVATIVE 宇部興産株式会社 2017-02-09 WO disclosed
US-20150203890-A1 PRODUCTION OF SIALYLATED N-GLYCANS IN LOWER EUKARYOTES GLYCOFI INC (US) 2015-07-23 US disclosed
WO-2014179765-A2 NOVEL HUMAN MIRNAS FOR USE IN DIAGNOSIS, PROGNOSIS AND THERAPY OF HUMAN CONDITIONS AND DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2014-11-06 WO disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
US-20100292249-A1 MANUFACTURE OF RIMCAZOLE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-11-18 US disclosed
US-7229813-B2 Everninomicin biosynthetic proteins SCHERING CORPORATION (US) 2007-06-12 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-20100292249-A1 MANUFACTURE OF RIMCAZOLE P2RX5, CYP3A5, ADRA2C SHBG 4772/4885MEN1 3330/4885KMT2A 4048/4885
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, HCRTR1, NR3C1 SHBG 1570/4885MEN1 1475/4885KMT2A 1992/4885

“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.