SCHEMBL1126573

SCHEMBL1126573

CCOC(=O)CCn1cc(-c2ccccc2)cc1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CREBBP Q92793 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44

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
SCHEMBL1126536 0.85 CNR1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1126661 0.81 P2RY12 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2806317 0.77 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1126957 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
Succinic Acid Diethyl Ester SCHEMBL27940678 0.75 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL15162603 0.72 GABRA2 (0.45) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL1126999 0.72 ESR1 (0.48) ALDH1A1CREBBPSMN1; SMN2POLBLMNA
SCHEMBL4429718 0.71 ESR1 (0.70) ALDH1A1CREBBPMEN1KMT2ATUBB4A
SCHEMBL1126803 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL8379393 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPSR1HPGDKDM4E

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 ALDH1A1 219/4885CREBBP 4702/4885MEN1 77/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885CREBBP 4702/4885MEN1 77/4885

“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.