SCHEMBL1989883

SCHEMBL1989883

CCOC(=O)c1[nH]c(C)c(C(=O)OC)c1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1126580 0.83 NPSR1 (0.51) LMNAALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL8205190 0.82 HPGD (0.59) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL7252897 0.81 HPGD (0.83) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL18878423 0.79 NPSR1 (0.49) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL11648197 0.78 CYP1A2 (0.66) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL30345345 0.77 MAPK1 (0.55) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL5598196 0.77 HPGD (0.49) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL8203695 0.76 NPSR1 (0.51) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL26088689 0.76 MAPK1 (0.61) LMNAHPGDALDH1A1L3MBTL1RAB9A
SCHEMBL6825138 0.75 HPGD (0.50) LMNAHPGDALDH1A1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 LMNA 3641/4885HPGD 2971/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 LMNA 3641/4885HPGD 2971/4885ALDH1A1 219/4885

“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.