SCHEMBL1126850

SCHEMBL1126850

CC(=O)OCCn1ccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.45
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
CNR2 P34972 1/20 0.36
NR2F2 P24468 1/20 0.35

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
SCHEMBL13692017 0.76 AKR1B1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL27739321 0.74 ALDH1A1 (0.50) SLC18A3ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL1126926 0.74 SLC18A3 (0.43) SLC18A3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1126872 0.73 CA12 (0.41) ALDH1A1NPC1RAB9AKDM4ENR2F2
SCHEMBL1126874 0.73 CA12 (0.52) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL10815654 0.73 ALDH1A1 (0.47) SLC18A3ALDH1A1SMN1; SMN2RAB9ACNR2
SCHEMBL1126796 0.72 CNR2 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL1126991 0.72 AKR1B1 (0.61) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL10898797 0.71 SLC18A3 (0.43) SLC18A3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13587983 0.70 ESR1 (0.63) SLC18A3SMN1; SMN2NPC1RAB9ACYP1A2

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 SLC18A3 4483/4885ALDH1A1 219/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SLC18A3 4483/4885ALDH1A1 219/4885SMN1; SMN2 2831/4885

“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.