SCHEMBL21097005

SCHEMBL21097005

Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
IDO2 Q6ZQW0 1/20 0.51
NSD2 O96028 1/20 0.47
TERT O14746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
GLS O94925 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TBK1 Q9UHD2 2/20 0.44

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
SCHEMBL27539906 0.90 VEGFA (0.53) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL20668704 0.86 VEGFA (0.55) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL5470260 0.86 VEGFA (0.50) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL1006605 0.86 VEGFA (0.55) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL24269313 0.84 VEGFA (0.48) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL18087154 0.84 LMNA (0.56) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL7238782 0.84 IDO1 (0.48) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL2858333 0.83 TP53 (0.58) VEGFAEGLN1KDM4EALDH1A1FAAH
SCHEMBL4156092 0.83 VEGFA (0.58) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL5474932 0.82 BLM (0.56) VEGFAEGLN1IDO1TDO2IDO2

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-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2021-01-07 US disclosed
WO-2019118830-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2019-06-20 WO 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-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 VEGFA 2122/4885EGLN1 1530/4885IDO1 4637/4885

“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.