SCHEMBL20375332

SCHEMBL20375332

C=CCN1C=CN(CCCC)C1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9940095 0.93 TSHR (0.36) TSHRALDH1A1
Bromide SCHEMBL28977646 0.87 PDE4A (0.31)
SCHEMBL329331 0.84 GBA1 (0.32) TSHRALDH1A1
SCHEMBL5287172 0.80 GBA1 (0.31)
SCHEMBL5286518 0.80 EBP (0.36) TSHRALDH1A1
SCHEMBL5296586 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5291657 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5298395 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5288291 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5284107 0.78 EBP (0.39) TSHRALDH1A1

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-10421769-B2 Anticancer property studies of chiral palladium N-heterocyclic carbene complexes and process for preparation thereof India Institute of Technology Bombay (IN) 2019-09-24 US disclosed
US-20180194789-A1 ANTICANCER PROPERTY STUDIES OF CHIRAL PALLADIUM N-HETEROCYCLIC CARBENE COMPLEXES AND PROCESS FOR PREPARATION THEREOF India Institute of Technology Bombay (IN) 2018-07-12 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 (2 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-10421769-B2 Anticancer property studies of chiral palladium N-heterocyclic carbene complexes and process for preparation thereof PDCD1LG2, PDCD1, ODC1 TSHR 1873/4885ALDH1A1 408/4885
US-20180194789-A1 ANTICANCER PROPERTY STUDIES OF CHIRAL PALLADIUM N-HETEROCYCLIC CARBENE COMPLEXES AND PROCESS FOR PREPARATION THEREOF PDCD1LG2, PDCD1, MCL1 TSHR 1845/4885ALDH1A1 547/4885

“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.