SCHEMBL25539329

SCHEMBL25539329

CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)n4)c4ccccc34)cc2-c2cc3ccccc3cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34

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
SCHEMBL25540130 0.97 ENPP3 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540122 0.97 MEN1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25539411 0.97 MEN1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25540444 0.96 CA12 (0.34) ENPP3ENPP1CA12CA1CA2
SCHEMBL25538337 0.96 CA12 (0.34) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540437 0.96 ENPP3 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540124 0.96 MEN1 (0.37) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25539322 0.96 MEN1 (0.37) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25539328 0.96 ENPP1 (0.40) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540113 0.96 MEN1 (0.37) ENPP3ENPP1ALDH1A1MAPTHPGD

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-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 US disclosed
US-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 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-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM ENPP3 1183/4885ENPP1 408/4885CA12 1965/4885

“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.