SCHEMBL7048626

SCHEMBL7048626

COc1cc(C(C)=O)c(C)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 5/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HMGCR P04035 1/20 0.44
MAPT P10636 3/20 0.44
HSD17B2 P37059 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL28930588 0.92 HTT (0.58) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL11154634 0.86 HTT (0.64) HTTRAB9AKMT2ACYP3A4LMNA
SCHEMBL7044347 0.85 HTT (0.55) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL14566480 0.85 HTT (0.75) HTTRAB9ACYP3A4MAPK1HPGD
SCHEMBL1545430 0.84 HTT (0.81) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL13979264 0.84 HTT (0.57) HTTRAB9AKMT2ACYP3A4MAPK1
SCHEMBL20366921 0.83 KDM4E (0.53) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL19350461 0.80 HTT (0.53) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL24497291 0.80 HTT (0.62) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL14780513 0.80 HTT (0.81) HTTSLC22A6SLC22A8MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015155345-A1 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES MEDIMMUNE LIMITED (GB) 2015-10-15 WO disclosed
EP-2839860-A1 Pyrrolobenzodiazepines and conjugates thereof Spirogen Sàrl (CH) 2015-02-25 EP disclosed
WO-2014057074-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-04-17 WO disclosed
US-20030236439-A1 Non-steroidal analogs of 2-methoxyestradiol ENTREMED, INC. 2003-12-25 US disclosed
WO-2003063787-A2 NON-STEROIDAL ANALOGS OF 2-METHOXYESTRADIOL ENTREMED, INC. (US) 2003-08-07 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-20030236439-A1 Non-steroidal analogs of 2-methoxyestradiol NR5A1, CCNB2, CYP17A1 HTT 4824/4885SLC22A6 4435/4885SLC22A8 4385/4885

“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.