SCHEMBL2499752

SCHEMBL2499752

Cc1c(C(=O)O)ccc(C(C)O)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACE2 Q9BYF1 2/20 0.35
NOTUM Q6P988 3/20 0.33
METAP2 P50579 1/20 0.33
GPR35 Q9HC97 2/20 0.32
MYC P01106 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL2502722 0.78 MAPT (0.42) GRM1MAPTALDH1A1NOTUMGPR35
SCHEMBL2502805 0.78 GRM1 (0.46) GRM1ALDH1A1ACE2METAP2MYC
SCHEMBL2498239 0.76 HNF4A (0.35) ALDH1A1
SCHEMBL2505142 0.75 MAPT (0.37) MAPTNOTUMGPR35CYP1A2POLB
SCHEMBL2502182 0.73 GRM1 (0.42) GRM1MAPTALDH1A1ACE2METAP2
SCHEMBL2499683 0.73 POLB (0.40) MAPTALDH1A1NOTUMGPR35KDM4E
SCHEMBL2498153 0.73 MAPT (0.38) MAPTNOTUMMETAP2GPR35CYP1A2
SCHEMBL16762134 0.72 TAS2R14 (0.40) MAPTALDH1A1NOTUMKDM4E
SCHEMBL7080684 0.71 CYP1A2 (0.48) MAPTALDH1A1NOTUMGPR35KDM4E
SCHEMBL246025 0.69 TSHR (0.51) MAPTALDH1A1NOTUMMYCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 GRM1 886/4885MAPT 4346/4885ALDH1A1 1939/4885

“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.