SCHEMBL19218928

SCHEMBL19218928

CC(C)(C)c1ccc2c(c1)C1(c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 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
SCHEMBL19218917 0.97 PDK2 (0.34) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL19218920 0.97 PDK2 (0.34) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL22744998 0.93 ALDH1A1 (0.36) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL22744988 0.91 CYP2D6 (0.36) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL23485337 0.91 CYP2D6 (0.36) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL19218887 0.91 PDK2 (0.34) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL19176086 0.90 CYP2D6 (0.37) KIF11GPR84NPC1ALDH1A1PLA2G1B
SCHEMBL25147606 0.89 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22744880 0.89 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24646585 0.89 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound IDEMITSU KOSAN CO., LTD. (JP) 2019-03-26 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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-10243148-B2 Aromatic amine compound, and organic electroluminescent elements including the compound H1-10, H1-0, H1-4 KIF11 1413/4885GPR84 1869/4885NPC1 2254/4885
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 KIF11 1740/4885GPR84 3492/4885NPC1 2006/4885

“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.