SCHEMBL6539686

SCHEMBL6539686

C=CCCC(=O)OCc1ccc(OC(=O)CCC=C)c(C(c2ccccc2)(C(C)C)C(CN)C(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 2/20 0.30
SLC15A1 P46059 1/20 0.30
MGLL Q99685 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6762097 0.81 ALOX15 (0.39) ALOX15CYP3A4CA2
SCHEMBL6760712 0.79 ELANE (0.35) SLC15A1
SCHEMBL6760481 0.76 CYP3A4 (0.36) HPGDMEN1KMT2ACYP3A4TDP1
SCHEMBL6539682 0.72 CHRM2 (0.39) ALOX15MEN1KMT2ACYP3A4TDP1
SCHEMBL6760704 0.67 CHRM3 (0.30)
SCHEMBL2166654 0.67 CHRM2 (0.61) FAAHMGLL
SCHEMBL2465566 0.66 ALDH1A1 (0.58) MEN1KMT2ATDP1L3MBTL1
SCHEMBL7755039 0.64 CHRM2 (0.38) ALOX15MEN1KMT2A
SCHEMBL3772904 0.60 ALOX15 (0.41) ALOX15MEN1KMT2AFAAHMGLL
SCHEMBL878243 0.59 LMNA (0.45) HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 US disclosed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 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 (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-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 HPGD 360/4885ALOX15 2393/4885MEN1 4504/4885

“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.