SCHEMBL16586262

SCHEMBL16586262

C=CCC1CC=CC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA4 P22748 4/20 0.40
CA14 Q9ULX7 4/20 0.40
CA3 P07451 1/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
CA5A P35218 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
PDCD4 Q53EL6 2/20 0.39
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL19667650 0.77 PDCD4 (0.42) CA1CA4CA14CA3CA9
SCHEMBL19667724 0.77 PDCD4 (0.42) CA1CA4CA14CA3CA9
SCHEMBL9618188 0.77 PDCD4 (0.42) CA1CA4CA14CA3CA9
SCHEMBL9618184 0.77 PDCD4 (0.42) CA1CA4CA14CA3CA9
SCHEMBL19679881 0.77 PDCD4 (0.42) CA1CA4CA14CA3CA9
SCHEMBL19679880 0.77 PDCD4 (0.42) CA1CA4CA14CA3CA9
SCHEMBL981700 0.75
SCHEMBL2401895 0.72 PDCD4 (0.49) CA1CA4CA14CA3CA9
SCHEMBL14496504 0.72 PDCD4 (0.49) CA1CA4CA14CA3CA9
SCHEMBL10114797 0.71 PDCD4 (0.38) CA1CA4CA14CA3CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999612-B2 PPARs agonist activity enhancing drug TSUJIMOTO CHEMICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20160374986-A1 PPARs AGONIST ACTIVITY ENHANCING DRUG TSUJIMOTO CHEMICAL CO., LTD. (JP) 2016-12-29 US disclosed
US-20160024041-A1 PPARs AGONIST ACTIVITY ENHANCING DRUG TSUJIMOTO CHEMICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20150087846-A1 PPARs AGONIST ACTIVITY ENHANCING DRUG TSUJIMOTO CHEMICAL CO., LTD. (JP) 2015-03-26 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 (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-20150087846-A1 PPARs AGONIST ACTIVITY ENHANCING DRUG PPARA, PPARD, PPARG CA1 3348/4885CA4 2293/4885CA14 3460/4885
US-20160024041-A1 PPARs AGONIST ACTIVITY ENHANCING DRUG PPARA, PPARG, PPARD CA1 4869/4885CA4 4735/4885CA14 4872/4885
US-20160374986-A1 PPARs AGONIST ACTIVITY ENHANCING DRUG PPARA, PPARG, PPARD CA1 4806/4885CA4 4552/4885CA14 4849/4885

“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.