SCHEMBL17557992

SCHEMBL17557992

CCCOC(=O)CCC(=O)N1CCN(CCCCl)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.47
HRH1 P35367 14/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17557999 0.93 HRH2 (0.52) HRH2HRH1LMNAPOLBTSHR
SCHEMBL17557964 0.92 HRH2 (0.51) HRH2HRH1LMNAPOLBTSHR
SCHEMBL17557975 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17558015 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17576888 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17558020 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17557974 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17557971 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17557993 0.91 HRH2 (0.50) HRH2HRH1
SCHEMBL17557980 0.91 HRH2 (0.50) HRH2HRH1

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-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

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 HRH2 2253/4885HRH1 2319/4885LMNA 1026/4885

“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.