SCHEMBL1464757

SCHEMBL1464757

CCc1cc(CCC(=O)C2CCCC2)cc(CC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
CCR5 P51681 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL1581879 0.73 MEN1 (0.36) SMN1; SMN2ALDH1A1CYP2C19KDM4EMEN1
SCHEMBL3437747 0.72 THRA (0.33) THRATHRBL3MBTL1
SCHEMBL1464150 0.72 THRA (0.33) THRATHRBL3MBTL1
SCHEMBL3986354 0.72 DRD2 (0.38) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL13963699 0.71 CNR1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1CYP2C19MEN1
SCHEMBL3987891 0.71 KMT2A (0.49) MEN1KMT2AHPGDCCR5
SCHEMBL5880795 0.70 ALDH1A1 (0.60) HSD11B1SMN1; SMN2ALDH1A1L3MBTL1CYP2C19
SCHEMBL14596706 0.70 PTGDR (0.35) SMN1; SMN2ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL14596420 0.70 GPR4 (0.38) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11880887 0.69 ALDH1A1 (0.63) HSD11B1SMN1; SMN2ALDH1A1L3MBTL1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070187-A1 Methods for the Preparation of HCV Polymerase Inhibitors PFIZER INC. 2011-03-24 US disclosed
US-20110070187-A1 Methods for the Preparation of HCV Polymerase Inhibitors PFIZER INC. 2011-03-24 US disclosed
US-20110070187-A1 Methods for the Preparation of HCV Polymerase Inhibitors PFIZER INC. 2011-03-24 US disclosed
US-7807838-B2 Methods for the preparation of HCV polymerase inhibitors PFIZER INC. (US) 2010-10-05 US disclosed
US-7807838-B2 Methods for the preparation of HCV polymerase inhibitors PFIZER INC. (US) 2010-10-05 US disclosed
US-7807838-B2 Methods for the preparation of HCV polymerase inhibitors PFIZER INC. (US) 2010-10-05 US disclosed
US-20090023921-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC 2009-01-22 US disclosed
US-20090023921-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC 2009-01-22 US disclosed
US-20090023921-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC 2009-01-22 US disclosed
EP-1928878-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2008-06-11 EP disclosed
WO-2007023381-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed
WO-2007023381-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2007-03-01 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-20090023921-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS POLRMT, POLI, POLM HSD11B1 1373/4885SMN1; SMN2 3321/4885THRA 4557/4885
US-20110070187-A1 Methods for the Preparation of HCV Polymerase Inhibitors POLRMT, POLI, POLM HSD11B1 1373/4885SMN1; SMN2 3321/4885THRA 4557/4885

“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.