SCHEMBL680661

SCHEMBL680661

COC(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
EPHX1 P07099 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL14225206 1.00 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL3842608 0.87 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5474351 0.87 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5396533 0.87 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5474344 0.87 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL12884228 0.85 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL15113559 0.85 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9911361 0.85 THRB (0.57) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL21937865 0.81 THRB (0.53) THRBCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5704666 0.81 THRB (0.53) THRBCYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 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 (4 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 THRB 2757/4885CYP3A4 4863/4885CYP2D6 4716/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 THRB 2658/4885CYP3A4 4833/4885CYP2D6 4720/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA THRB 694/4885CYP3A4 4454/4885CYP2D6 2939/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A THRB 602/4885CYP3A4 4697/4885CYP2D6 4510/4885

“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.