SCHEMBL13423682

SCHEMBL13423682

CC(C)(C)C(CC1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
CPB2 Q96IY4 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37

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
SCHEMBL13543015 0.98 LTA4H (0.38) LTA4HCTSKCTSSCPB2SLC1A3
SCHEMBL13543011 0.94 SLC1A3 (0.36) LTA4HCTSKCTSSCPB2SLC1A3
SCHEMBL13543023 0.90 CTSS (0.36) CTSKCTSSCPB2SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7838392 0.84 CPB2 (0.38) LTA4HCTSKCTSSCPB2SLC1A3
SCHEMBL13423681 0.83 METAP1 (0.43) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL2375470 0.82 CTSK (0.36) LTA4HCTSKCTSSCPB2CTSL
SCHEMBL5273660 0.81 CTSK (0.39) LTA4HCTSKCTSSCPB2SLC1A3
SCHEMBL6053853 0.80 CTSK (0.38) LTA4HCTSKCTSSCPB2SLC1A3
SCHEMBL1246701 0.79 LTA4H (0.37) LTA4HCTSKCTSSSLC1A3SLC1A2
SCHEMBL5936761 0.79 LTA4H (0.37) LTA4HCTSKCTSSSLC1A3SLC1A2

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-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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 (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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B LTA4H 4039/4885CTSK 2346/4885CTSS 2864/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA LTA4H 4063/4885CTSK 2234/4885CTSS 1975/4885

“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.