SCHEMBL19640288

SCHEMBL19640288

C#CCCCC[CH]C#CCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.43
PTPN7 P35236 4/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2933749 1.00 HMGCR (0.43) HMGCRPTPN7TSHRKDM4EALDH1A1
SCHEMBL3030008 0.90 HMGCR (0.49) HMGCRPTPN7TSHRRECQLTDP1
SCHEMBL10540472 0.90 HMGCR (0.49) HMGCRPTPN7TSHRRECQLTDP1
SCHEMBL28437823 0.90 HMGCR (0.49) HMGCRPTPN7TSHRRECQLTDP1
SCHEMBL1533719 0.84 HMGCR (0.42) HMGCRPTPN7TSHRKDM4EALDH1A1
SCHEMBL4763127 0.82 HMGCR (0.33) HMGCRTSHR
SCHEMBL6852096 0.82
SCHEMBL11180416 0.81 HMGCR (0.43) HMGCRPTPN7TSHRRECQLTDP1
SCHEMBL8157636 0.81 HMGCR (0.41) HMGCRPTPN7RECQLTDP1
SCHEMBL8385155 0.80 HMGCR (0.44) HMGCRPTPN7TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 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-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HMGCR 2048/4885PTPN7 1279/4885TSHR 3851/4885

“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.