SCHEMBL3674584

SCHEMBL3674584

NCc1ccc(COC(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
TDP1 Q9NUW8 3/20 0.76
SLC6A2 P23975 1/20 0.76
SLC6A3 Q01959 1/20 0.76
LMNA P02545 2/20 0.64
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
PPARG P37231 1/20 0.53
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL14487915 0.95 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL4371608 0.93 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6687920 0.91 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5085718 0.91 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6163969 0.88 TDP1 (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.87 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.87 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.87 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1252397 0.86 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2238592 0.85 LMNA (0.86) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM KMT2A 581/4885TDP1 4433/4885SLC6A2 2597/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM KMT2A 581/4885TDP1 4433/4885SLC6A2 2597/4885

“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.