SCHEMBL14746223

SCHEMBL14746223

C=C(C)COc1cc2c(cc1Br)cc(C(=O)OCC)n2C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.39
PKM P14618 3/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL14745786 0.84 ALDH1A1 (0.41) ALDH1A1TSHRPKMMAPTGAA
SCHEMBL28804014 0.77 PHGDH (0.42) ALDH1A1PKMMAPTGAAMAOA
SCHEMBL14746105 0.76 MAPT (0.32) ALDH1A1MAPTMAOALMNARAB9A
SCHEMBL31412989 0.75 SRD5A1 (0.53) ALDH1A1MAPTLMNASRD5A1SRD5A2
SCHEMBL23049660 0.74 PHGDH (0.47) ALDH1A1PKMMAPTGAAMAOA
SCHEMBL14745972 0.74 KDM4E (0.52) ALDH1A1TSHRPKMMAPTGAA
SCHEMBL16055176 0.72 HSD17B2 (0.49) ALDH1A1TSHRPKMMAPTMAOA
SCHEMBL22346624 0.72 QRFPR (0.45) ALDH1A1PKMMAPTGAAMAOA
SCHEMBL5593232 0.72 CA12 (0.47) ALDH1A1TSHRMAPTGAAMAOA
SCHEMBL6753155 0.71 MCL1 (0.49) ALDH1A1MAPTKMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ALDH1A1 3792/4885TSHR 4837/4885PKM 4051/4885

“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.