SCHEMBL5445148

SCHEMBL5445148

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2c(Cl)cccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
ALDH1A1 P00352 4/20 0.68
MAPT P10636 3/20 0.68
HTT P42858 2/20 0.68
LMNA P02545 2/20 0.68
USP2 O75604 1/20 0.68
GSTP1 P09211 1/20 0.61
CYP3A4 P08684 2/20 0.46
FTO Q9C0B1 4/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMAD3 P84022 1/20 0.40
PRMT1 Q99873 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL284851 0.89 MAPT (0.65) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL3248111 0.87 GSTP1 (0.67) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1029702 0.85 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1703820 0.84 MAPT (0.59) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL18009919 0.83 MAPT (0.66) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL9561179 0.82 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTHTT
Fluorescein Diacetate SCHEMBL31658971 0.81 MAPT (1.00) MEN1KMT2AALDH1A1MAPTHTT
Fluorescein Diacetate SCHEMBL29453229 0.81 MAPT (1.00) MEN1KMT2AALDH1A1MAPTHTT
Fluorescein Diacetate SCHEMBL29353816 0.81 MAPT (1.00) MEN1KMT2AALDH1A1MAPTHTT
Fluorescein Diacetate SCHEMBL1028369 0.81 MAPT (1.00) MEN1KMT2AALDH1A1MAPTHTT

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
US-20070111973-A1 TREATMENT OF TUMOURS HAGSTROM TOMAS 2007-05-17 US disclosed
US-20050192262-A1 Treatment of tumours HAGSTROM, TOMAS (SE) 2005-09-01 US disclosed
EP-1379542-A2 TREATMENT OF TUMOURS Hagström, Tomas (SE) 2004-01-14 EP disclosed
WO-2002072003-A2 USE OF STEROID DERIVATIVES FOR THE TREATMENT OF A BENIGHN AND/OR MALIGNANT TUMOUR HAGSTROEM TOMAS (SE) 2002-09-19 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-20050192262-A1 Treatment of tumours SULT2A1, SULT1A1, HSD17B11 MEN1 4560/4885KMT2A 3917/4885ALDH1A1 448/4885
US-20070111973-A1 TREATMENT OF TUMOURS SULT2A1, SULT1A1, SULT1E1 MEN1 4666/4885KMT2A 2806/4885ALDH1A1 388/4885

“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.