SCHEMBL21020591

SCHEMBL21020591

CC(C)c1cccc2c1sc1c(N(C)c3ccc(F)cc3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
POLB P06746 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL21020458 0.88 DHFR (0.34) SIGMAR1KDM1A
SCHEMBL21020455 0.88 SIGMAR1 (0.32) CES1SIGMAR1KDM1A
SCHEMBL21020582 0.86 KIF11 (0.30) SIGMAR1
SCHEMBL20650436 0.85
SCHEMBL21020456 0.84 KDM1A (0.31) SIGMAR1KDM1A
SCHEMBL21020457 0.84 SIGMAR1 (0.33) SIGMAR1
SCHEMBL21020459 0.84 SIGMAR1 (0.33) SIGMAR1
SCHEMBL21020584 0.83 ABCG2 (0.37) SIGMAR1
SCHEMBL21020328 0.83 CES1 (0.33) CES1POLB
SCHEMBL21021499 0.82 MEN1 (0.33) CES1POLB

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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CES1 3901/4885SIGMAR1 2480/4885POLB 2893/4885

“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.