SCHEMBL4045420

SCHEMBL4045420

CCOC(=O)C1CCCC2CCCCN21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.51
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 8/20 0.45
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 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
SCHEMBL19171985 0.90 FKBP1A (0.47) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL12881542 0.89 FKBP1A (0.48) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL5176485 0.88 FKBP1A (0.47) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL20310851 0.84 FKBP1A (0.43) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL1207252 0.83 FKBP1A (0.42) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL12881530 0.83 SMN1; SMN2 (0.42) FKBP1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL24846753 0.78 FKBP1A (0.55) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL652160 0.78 FKBP1A (0.55) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL3558877 0.78 FKBP1A (0.46) FKBP1AKDM4EALDH1A1TSHRMAPK1
SCHEMBL6541395 0.77 FKBP1A (0.62) FKBP1AKDM4EALDH1A1TSHRMAPK1

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
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 FKBP1A 2967/4885KDM4E 1849/4885ALDH1A1 651/4885

“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.