SCHEMBL1126901

SCHEMBL1126901

COCCn1c(C(=O)O)c(-c2ccccc2)c(C(=O)O)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
HMGCR P04035 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ABCB11 O95342 3/20 0.39
SLCO1B1 Q9Y6L6 3/20 0.39
NR1I2 O75469 1/20 0.39
RHOC P08134 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PDE6D O43924 2/20 0.38
PADI4 Q9UM07 1/20 0.38
HPGD P15428 1/20 0.38
ABCC3 O15438 2/20 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
SCHEMBL1127384 0.83 AR (0.46) ALDH1A1LMNATDP1TP53PADI4
SCHEMBL1126660 0.82 MAPT (0.46) ALDH1A1LMNATDP1TP53HPGD
SCHEMBL1127071 0.81 GRIA2 (0.45) ALDH1A1LMNATDP1TP53PADI4
SCHEMBL1126774 0.78 GRIA4 (0.46) ALDH1A1LMNATDP1TP53HMGCR
SCHEMBL1126728 0.76 AR (0.44) ALDH1A1TDP1TP53AR
SCHEMBL1126733 0.73 GRIA4 (0.47) TP53
SCHEMBL1127194 0.72 AR (0.43) ALDH1A1LMNATP53HPGDAR
SCHEMBL1127125 0.71 HPGD (0.54) ALDH1A1LMNAHPGDAR
SCHEMBL1127111 0.71 KDM4E (0.45) ALDH1A1LMNATDP1HPGDAR
SCHEMBL1126972 0.71 AR (0.56) ALDH1A1LMNATDP1TP53HPGD

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 7 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
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
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (1 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-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885LMNA 3641/4885TDP1 903/4885

“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.