SCHEMBL17558012

SCHEMBL17558012

COC(=O)CCCC(=O)N1CCN(CCCCl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
TSHR P16473 2/20 0.44
EPHX1 P07099 2/20 0.42
EPHX2 P34913 2/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL17558014 0.97 GLA (0.54) GLATSHREPHX1EPHX2HTR1A
SCHEMBL17557990 0.96 GLA (0.52) GLATSHREPHX1EPHX2HTR1A
SCHEMBL17557969 0.96 GLA (0.52) GLATSHREPHX1EPHX2HTR1A
SCHEMBL17558008 0.96 GLA (0.52) GLATSHREPHX1EPHX2HTR1A
SCHEMBL17557995 0.93 GLA (0.48) GLATSHREPHX1EPHX2HTR1A
SCHEMBL14980458 0.82 GLA (0.70) GLATSHREPHX1EPHX2ATM
SCHEMBL5605546 0.81 HTR7 (0.49) TSHRHTR1AHTR7ATMALDH1A1
SCHEMBL5856719 0.81 SIGMAR1 (0.55) GLATSHRHTR1AHTR7HRH2
SCHEMBL20193377 0.79 GLA (0.49) GLATSHREPHX1EPHX2HTR1A
SCHEMBL11570934 0.79 TSHR (0.58) GLATSHRHTR1AALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 US disclosed
US-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 US disclosed
US-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 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-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF BAX, BCL2, CASP3 GLA 4516/4885TSHR 4780/4885EPHX1 3590/4885

“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.