SCHEMBL822450

SCHEMBL822450

C=CCC1(c2ccccc2)N=NC(CC=C)(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
CES2 O00748 1/20 0.35
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRB2 P47870 2/20 0.33
EGFR P00533 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL25366741 0.67 LMNA (0.36) LMNAGAAEGFRALDH1A1CYP2C9
SCHEMBL25366744 0.67 LMNA (0.36) LMNAGAAEGFRALDH1A1CYP2C9
SCHEMBL32689845 0.67 KMT2A (0.42) LMNAGAAGABRA1GABRG2GABRB3
SCHEMBL24565312 0.66 EGFR (0.49) LMNAGAAEGFRMEN1POLB
SCHEMBL22323612 0.66 EGFR (0.49) LMNAGAAEGFRMEN1POLB
SCHEMBL715099 0.66 MMP9 (0.51) LMNAGAAGABRA1GABRG2GABRB3
SCHEMBL8676257 0.65 GAA (0.38) LMNAGAAGABRA1GABRG2GABRB3
SCHEMBL8678113 0.65 LMNA (0.38) LMNAGAAGABRA1GABRG2GABRB3
SCHEMBL8673707 0.63 LMNA (0.36) LMNAGAAEGFRMEN1POLB
SCHEMBL512776 0.62 GRIN2D (0.39) LMNAGAAEGFRMEN1POLB

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-8536378-B2 Prostratin and structural or functional analogs thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-09-17 US disclosed
US-20120101283-A1 Prostratin and Structural or Functional Analogs Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-26 US disclosed
US-8067632-B2 Process to produce prostratin and structural or functional analogs thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-11-29 US disclosed
US-20090187046-A1 Process to Produce Prostratin and Structural or Functional Analogs Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-07-23 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-20120101283-A1 Prostratin and Structural or Functional Analogs Thereof PTGIR, PTGDR, PTGDR2 LMNA 2709/4885GAA 4465/4885CES2 3422/4885
US-20090187046-A1 Process to Produce Prostratin and Structural or Functional Analogs Thereof PTGIR, PTGDR, PTGIS LMNA 2264/4885GAA 4038/4885CES2 2922/4885

“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.