SCHEMBL6835541

SCHEMBL6835541

CCC(=O)CCCCC#N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
PTPN7 P35236 3/20 0.36
HMGCR P04035 3/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MCL1 Q07820 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
SCHEMBL8614496 0.93
SCHEMBL11563312 0.84 TSHR (0.54) TSHRPTPN7HMGCRKMT2AMAPT
SCHEMBL20184219 0.84 TSHR (0.48) TSHRPTPN7HMGCRKMT2AMAPT
SCHEMBL8663105 0.83
SCHEMBL38650663 0.83 KMT2A (0.57) TSHRTDP1PTPN7HMGCRKMT2A
SCHEMBL8007919 0.80 MCL1 (0.39) TSHRTDP1KMT2AMAPTMEN1
SCHEMBL9331478 0.80 TSHR (0.54) TSHRTDP1PTPN7HMGCRKMT2A
SCHEMBL12673292 0.80 TDP1 (0.60) TSHRTDP1KMT2AMAPTMEN1
SCHEMBL11589877 0.78 TSHR (0.41) TSHRTDP1KMT2AMAPTMEN1
SCHEMBL6257072 0.77 PTPN7 (0.41) TSHRTDP1PTPN7HMGCRKMT2A

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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM TSHR 4013/4885TDP1 4125/4885PTPN7 4276/4885

“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.