SCHEMBL4840795

SCHEMBL4840795

CCN(C(=O)OC(C)(C)C)c1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MLYCD O95822 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
PAX8 Q06710 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL8469252 0.85 PPARG (0.42) PPARGPPARAGPR119MLYCD
SCHEMBL3894800 0.84 TSHR (0.42) TSHRHTTALDH1A1GLAKDM4E
SCHEMBL5264223 0.84 AOC3 (0.41) TSHRHTTALDH1A1GLAKDM4E
SCHEMBL2552511 0.83 TSHR (0.41) TSHRHTTALDH1A1GLAKDM4E
SCHEMBL4738587 0.83 TSHR (0.43) TSHRHTTALDH1A1GLAKDM4E
SCHEMBL23912387 0.82 NR1H4 (0.46) HTTALDH1A1GLANPC1RAB9A
SCHEMBL4497170 0.82 MTNR1B (0.39) TSHRALDH1A1GLAHDAC3HDAC1
SCHEMBL572741 0.82 ALDH1A1 (0.59) TSHRHTTALDH1A1GLACYP3A4
SCHEMBL4838461 0.81 ALDH1A1 (0.47) TSHRHTTALDH1A1GLAKDM4E
SCHEMBL12719411 0.81 ALDH1A1 (0.42) TSHRHTTALDH1A1GLANPC1

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-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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 (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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 PPARG 1421/4885PPARA 979/4885TSHR 1390/4885

“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.