SCHEMBL2580796

SCHEMBL2580796

COc1ccc(Cc2cc(OC)ccc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
LTA4H P09960 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ESR1 P03372 1/20 0.49
CYP19A1 P11511 1/20 0.49
ESR2 Q92731 1/20 0.49
ERN1 O75460 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CALM1 P0DP23 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL6201748 0.90 NPC1 (0.49) ALOX15ESR1CYP19A1ESR2GAA
SCHEMBL11097682 0.89 CALM1 (0.51) IGF1RALOX15LTA4HESR1CYP19A1
SCHEMBL31651461 0.89 MEN1 (0.57) ALOX15LTA4HMTNR1AMTNR1BGAA
SCHEMBL5804756 0.89 MEN1 (0.57) ALOX15LTA4HMTNR1AMTNR1BGAA
SCHEMBL14283892 0.89 LTA4H (0.53) IGF1RALOX15LTA4HESR1CYP19A1
SCHEMBL51653 0.88 GAA (0.53) ALOX15CA1CA2ESR1CYP19A1
SCHEMBL2579101 0.88 AMY1A (0.54) IGF1RALOX15LTA4HCALM1MAPT
SCHEMBL2576239 0.86 IGF1R (0.47) IGF1RALOX15LTA4HESR1CYP19A1
SCHEMBL227700 0.85 ESR1 (0.61) IGF1RALOX15LTA4HESR1CYP19A1
SCHEMBL6201870 0.84 MTNR1A (0.51) MTNR1AMTNR1BCALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 IGF1R 44/4885ALOX15 1517/4885LTA4H 2919/4885

“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.