SCHEMBL4877927

SCHEMBL4877927

CCOC(=O)C(C)(C)Oc1ccc2ccncc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
CYP3A4 P08684 2/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
PMP22 Q01453 1/20 0.53
FBP1 P09467 8/20 0.47
PPARG P37231 2/20 0.46
GRM2 Q14416 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
PORCN Q9H237 1/20 0.41
LATS1 O95835 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL4514048 0.81 CYP3A4 (0.47) CYP3A4CYP1A2SLC22A12
SCHEMBL28775928 0.77 CYP3A4 (0.45) CYP3A4SLC22A12
SCHEMBL1969926 0.77 PPARA (0.56) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL11128812 0.76 GAA (0.53) CYP3A4CYP1A2TSHRMRGPRX4PORCN
SCHEMBL13291029 0.76 IKBKB (0.48) CYP3A4CYP1A2MRGPRX4
Ethyl Acetate SCHEMBL29093043 0.75 ALDH1A1 (0.48) CYP3A4CYP1A2MRGPRX4CCNCCDK8
SCHEMBL25005753 0.75 ROCK2 (0.53) CYP3A4MRGPRX4
SCHEMBL4029401 0.75 GRM2 (0.55) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL9939335 0.75 ABL1 (0.74)
SCHEMBL3372231 0.74 PPARA (0.49) PPARACYP3A4ABCB11CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
EP-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP disclosed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO disclosed
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP disclosed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 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 (2 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-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD PPARA 1/4885CYP3A4 630/4885ABCB11 3099/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885CYP3A4 809/4885ABCB11 41/4885

“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.