SCHEMBL21020587

SCHEMBL21020587

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.37
DHFR P00374 1/20 0.33
CASR P41180 2/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 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
SCHEMBL20649869 0.87 ACP1 (0.34) ACP1CASRSLC6A4P2RY1P2RY2
SCHEMBL21021497 0.84 DHFR (0.37) ACP1DHFRSLC6A4SLC6A3KDM4C
SCHEMBL21020582 0.84 KIF11 (0.30)
SCHEMBL21020332 0.84 ACP1 (0.36) ACP1DHFRSLC6A4SLC6A3KDM4C
SCHEMBL21020607 0.83 ACP1 (0.36) ACP1DHFRSLC6A4SLC6A3KDM4C
SCHEMBL21020591 0.83 CES1 (0.33)
SCHEMBL21021505 0.82 ACP1 (0.35) ACP1DHFRSLC6A4SLC6A3KDM4C
SCHEMBL21020589 0.82 ACP1 (0.39) ACP1DHFRSLC6A4SLC6A3KDM4C
SCHEMBL21020458 0.81 DHFR (0.34) DHFR
SCHEMBL21020455 0.81 SIGMAR1 (0.32) ALDH1A1

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 ACP1 4663/4885DHFR 1559/4885CASR 2856/4885

“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.