SCHEMBL4041328

SCHEMBL4041328

C#Cc1cccc(C(=O)OC)c1OC(C)C.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
KDM4E B2RXH2 5/20 0.37
TSHR P16473 2/20 0.37
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CFTR P13569 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4037726 0.87 RXRA (0.45) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL1926587 0.82 LMNA (0.46) LMNAKDM4ETSHRATMPOLB
SCHEMBL4633405 0.80 KDM4E (0.39) KDM4EATMPOLBALDH1A1HPGD
SCHEMBL1926846 0.79 ALDH1A1 (0.46) LMNAKDM4ETSHRATMPOLB
SCHEMBL16719439 0.79 SLC6A3 (0.41) LMNAKDM4ETSHRATMPOLB
SCHEMBL1926643 0.79 ALDH1A1 (0.40) LMNAKDM4ETSHRATMPOLB
SCHEMBL16720410 0.79 SLC6A3 (0.42) LMNAKDM4ETSHRATMPOLB
SCHEMBL2747145 0.76 LMNA (0.44) LMNAKDM4ETSHRATMTDP1
SCHEMBL5331876 0.73 TSHR (0.58) LMNAKDM4ETSHRATMTDP1
SCHEMBL7795902 0.73 IRAK4 (0.51) LMNAKDM4ETSHRATMTDP1

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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 LMNA 1339/4885RXRA 1994/4885RXRB 2307/4885

“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.