SCHEMBL9683887

SCHEMBL9683887

COC(=O)[C@@H](C)[C@H](O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
ADRA2C P18825 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A4 P31645 1/20 0.50
RGS12 O14924 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
GNAI1 P63096 1/20 0.50
HSD17B10 Q99714 1/20 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
SCHEMBL11073226 1.00 KMT2A (0.60) KMT2AADRA2CCHRM2ADRA1ASLC6A4
SCHEMBL9126861 0.83 MMP8 (0.54) KMT2AADRA2CTSHRMEN1KDM4E
SCHEMBL5884186 0.83 ESR1 (0.51) KMT2AADRA1ASLC6A4CYP2D6CYP2C19
SCHEMBL25836630 0.82 KMT2A (0.62) KMT2ATSHRPTGS1PTGS2MEN1
SCHEMBL14626670 0.82 KMT2A (0.62) KMT2ATSHRPTGS1PTGS2MEN1
SCHEMBL5789506 0.82 KMT2A (0.62) KMT2AADRA2CCHRM2ADRA1ASLC6A4
SCHEMBL8571791 0.82 KMT2A (0.62) KMT2AADRA2CCHRM2ADRA1ASLC6A4
SCHEMBL6874324 0.82 KMT2A (0.62) KMT2AADRA2CCHRM2ADRA1ASLC6A4
SCHEMBL4277222 0.81 SLC6A3 (0.43) KMT2ACYP3A4KDM4ELMNAALDH1A1
SCHEMBL27693737 0.81 ATM (0.56) KMT2AADRA2CCHRM2ADRA1ARGS12

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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 US disclosed
US-5132457-A Stereospecific synthesis of 2(R)-2-methyl-3-dimethylamino-propiophenone (d-DAMP) MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1992-07-21 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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES DLST, VIP, HAMP KMT2A 1908/4885ADRA2C 4764/4885CHRM2 4668/4885

“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.