SCHEMBL938457

SCHEMBL938457

CC1=CCC(C(=O)O)C(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
CASP6 P55212 2/20 0.51
CTDSP1 Q9GZU7 2/20 0.51
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRK2 P25098 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
FFAR1 O14842 1/20 0.34
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD11B1 P28845 2/20 0.33
GABRR1 P24046 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
SCHEMBL15450093 1.00 POLB (0.51) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL938459 1.00 POLB (0.51) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1441411 1.00 POLB (0.51) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL938541 1.00 POLB (0.51) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL938542 1.00 POLB (0.51) POLBTDP1CASP6CTDSP1ALDH1A1
Hydrochloric Acid SCHEMBL14645159 0.98 POLB (0.50) POLBTDP1CASP6CTDSP1ALDH1A1
Hydrochloric Acid SCHEMBL14717963 0.98 POLB (0.50) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL14563377 0.86 POLB (0.40) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL9961576 0.86 POLB (0.40) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751001 0.85 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2507249-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-10-10 EP disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US 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 (4 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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 POLB 1584/4885TDP1 2424/4885CASP6 972/4885
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 POLB 1584/4885TDP1 2424/4885CASP6 972/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 POLB 1584/4885TDP1 2424/4885CASP6 972/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 POLB 1584/4885TDP1 2424/4885CASP6 972/4885

“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.