SCHEMBL13612890

SCHEMBL13612890

CCC(CC)NCC(O)CO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
KDM4E B2RXH2 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
CNR1 P21554 1/20 0.48
ADRA1A P35348 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ABCC3 O15438 1/20 0.46
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.32
ADRB2 P07550 2/20 0.31
TSHR P16473 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
SCHEMBL19090720 1.00 LMNA (0.48) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL20988048 1.00 LMNA (0.48) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL19091370 0.87 LMNA (0.41) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL14378538 0.84 KDM4E (0.40) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL11001406 0.81 LMNA (0.44) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL20987984 0.81 THRB (0.40) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL27212653 0.80 LMNA (0.44) LMNAKDM4EMEN1KMT2A
SCHEMBL118048 0.80 LMNA (0.44) LMNAKDM4EMEN1KMT2A
SCHEMBL26699573 0.78 HPGD (0.41) LMNAKDM4ETDP1CNR1ADRA1A
SCHEMBL20988022 0.77 LMNA (0.50) LMNAKDM4ETDP1CNR1ADRA1A

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 LMNA 742/4885KDM4E 1641/4885TDP1 4057/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 LMNA 742/4885KDM4E 1641/4885TDP1 4057/4885

“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.