SCHEMBL21391991

SCHEMBL21391991

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
RXFP1 Q9HBX9 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.46
PTPRC P08575 1/20 0.45
KCNK3 O14649 3/20 0.44
KCNK9 Q9NPC2 3/20 0.44
PTGS1 P23219 1/20 0.44
GRM4 Q14833 1/20 0.44
RORC P51449 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 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
SCHEMBL24380053 0.92 RXFP1 (0.51) LMNAPOLBRXFP1SMN1; SMN2PTPRC
SCHEMBL21391963 0.85 RXFP1 (0.46) LMNAPOLBRXFP1SMN1; SMN2PTGS1
SCHEMBL7081238 0.83 RXFP1 (0.57) LMNAPOLBRXFP1SMN1; SMN2PTPRC
SCHEMBL21081939 0.82 RXFP1 (0.47) LMNAPOLBRXFP1RORC
SCHEMBL3424865 0.82 POLB (0.76) LMNAPOLBRXFP1SMN1; SMN2HTT
SCHEMBL19899690 0.80 RXFP1 (0.46) LMNAPOLBRXFP1RORCALDH1A1
SCHEMBL20577777 0.80 RXFP1 (0.53) RXFP1RORC
SCHEMBL29448788 0.78 RXFP1 (0.53) LMNAPOLBRXFP1PTPRCKCNK3
SCHEMBL24425915 0.77 CA12 (0.47) LMNAPOLBRXFP1RORCALDH1A1
SCHEMBL15052244 0.77 CFTR (0.64)

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-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME LG CHEM, LTD. (KR) 2019-09-26 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-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME DDC, CAD, AOC1 LMNA 2157/4885POLB 3439/4885RXFP1 3537/4885

“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.