SCHEMBL1893250

SCHEMBL1893250

CC1(C)Cc2cc(B(O)O)cc(F)c2O1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
HTR2A P28223 1/20 0.33
AKT1 P31749 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL4296355 0.78 AKT1 (0.47) ALDH1A1MAPTFFAR4HTR2AAKT1
SCHEMBL1895782 0.75 ALDH1A1 (0.36) ALDH1A1MAPTFFAR4HTR2AAKT1
SCHEMBL1371172 0.70 MAPT (0.41) ALDH1A1MAPTHTR2A
SCHEMBL4012294 0.70 FFAR4 (0.34) ALDH1A1MAPTFFAR4HTR2ALMNA
SCHEMBL18536181 0.67 ALDH1A1 (0.49) ALDH1A1MAPTLMNA
SCHEMBL1039249 0.67 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL2434714 0.67 FFAR4 (0.37) ALDH1A1MAPTFFAR4HTR2AAKT1
SCHEMBL14564975 0.66 DHFR (0.43) ALDH1A1MAPTFFAR4HTR2ALMNA
SCHEMBL2433641 0.66 FFAR4 (0.41) ALDH1A1MAPTFFAR4LMNA
SCHEMBL30888662 0.66 FFAR4 (0.41) ALDH1A1MAPTFFAR4LMNA

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
EP-2256115-A1 Heteromonocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO 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 (3 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-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 ALDH1A1 1979/4885MAPT 4571/4885FFAR4 1312/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885FFAR4 3121/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S ALDH1A1 1982/4885MAPT 4434/4885FFAR4 1520/4885

“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.