SCHEMBL2580966

SCHEMBL2580966

CCc1ccc(Cn2ccc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.70
KMT2A Q03164 2/20 0.60
PLAU P00749 1/20 0.60
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
POLB P06746 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
MGLL Q99685 1/20 0.48
F2R P25116 1/20 0.45

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
SCHEMBL257765 0.86 HTR6 (0.70) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL31021 0.85 HTR6 (0.73) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL29509279 0.85 HTR6 (0.73) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL2247137 0.84 HTR6 (0.72) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL29459650 0.84 HTR6 (0.72) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL6086778 0.83 HTR6 (0.66) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL30914586 0.83 HTR6 (0.66) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL6087734 0.82 HTR6 (0.70) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL21335591 0.82 HTR6 (0.70) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL3844137 0.82 HTR6 (0.70) HTR6KMT2APLAUHDAC1HDAC2

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-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US disclosed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US disclosed
WO-2017215110-A1 SYNTHETIC METHOD FOR ASYMMETRICAL THIOETHER 苏州大学 2017-12-21 WO disclosed
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP 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-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY HTR6 4374/4885KMT2A 1995/4885PLAU 1197/4885
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 HTR6 2254/4885KMT2A 1594/4885PLAU 3533/4885

“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.