SCHEMBL1126813

SCHEMBL1126813

CC(C)c1c[nH]cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
EIF4A3 P38919 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL1156156 0.77 NR4A2 (0.40) ALDH1A1KMT2AKDM4EMAPTPOLB
SCHEMBL70047 0.74 NOTUM (0.65) NOTUMALDH1A1KMT2AHPGDKDM4E
SCHEMBL827155 0.74 GABRA1 (0.35) FABP3FABP4HPGDTSHRCYP1A2
SCHEMBL18309202 0.73 FABP3 (0.52) NOTUMALDH1A1KMT2AFABP3FABP4
SCHEMBL1127430 0.72 KMT2A (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL18309199 0.71 FABP3 (0.50) NOTUMALDH1A1KMT2AFABP3FABP4
SCHEMBL29657201 0.70 ALDH1A1 (0.59) ALDH1A1KMT2AACE2HPGDKDM4E
SCHEMBL254364 0.70 ALDH1A1 (0.59) ALDH1A1KMT2AACE2HPGDKDM4E
SCHEMBL21019461 0.70 FABP3 (0.48) NOTUMALDH1A1KMT2AFABP3FABP4
Hydrogen Peroxide SCHEMBL9514730 0.70 ALDH1A1 (0.59) ALDH1A1KMT2AACE2HPGDKDM4E

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-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
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US 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 (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 NOTUM 616/4885ALDH1A1 219/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NOTUM 616/4885ALDH1A1 219/4885KMT2A 3996/4885

“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.