SCHEMBL4295436

SCHEMBL4295436

COc1ccc(CCC(=O)CC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.70
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.53
FFAR1 O14842 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 1/20 0.50
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 1/20 0.49
FKBP1A P62942 1/20 0.48

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
SCHEMBL22036296 0.86 F2RL1 (0.64) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL20221730 0.86 F2RL1 (0.64) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL7329940 0.86 F2RL1 (0.85) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL9404116 0.82 F2RL1 (1.00) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL105364 0.81 TRPV1 (0.59) F2RL1ALDH1A1POLBNFKB1NFKB2
SCHEMBL3994134 0.81 F2RL1 (0.77) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL29249334 0.81 TRPA1 (0.53) NFKB1LMNAALOX5
SCHEMBL24799947 0.81 F2RL1 (0.66) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL20610764 0.81 F2RL1 (0.66) F2RL1ALDH1A1POLBFFAR1NFKB1
SCHEMBL2468019 0.80 F2RL1 (0.60) F2RL1ALDH1A1POLBFFAR1NFKB1

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-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (3 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 F2RL1 1698/4885ALDH1A1 322/4885POLB 159/4885
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4305/4885ALDH1A1 1842/4885POLB 1606/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 F2RL1 1698/4885ALDH1A1 322/4885POLB 159/4885

“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.