SCHEMBL25539899

SCHEMBL25539899

CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)c5ccccc45)cc3)ccc2-c2cc3ccccc3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ACACA Q13085 1/20 0.37
PDK2 Q15119 2/20 0.36
PPARG P37231 6/20 0.35
PPARA Q07869 6/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 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
SCHEMBL25538207 0.97 ENPP3 (0.38) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540375 0.97 ENPP3 (0.38) ENPP3ENPP1CA12CA1CA2
SCHEMBL25539977 0.96 ENPP1 (0.38) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540058 0.96 ENPP3 (0.37) ENPP3ENPP1CA12CA1CA2
SCHEMBL25538206 0.96 ENPP3 (0.38) ENPP3ENPP1ACACAPPARGPPARA
SCHEMBL25538794 0.96 ENPP3 (0.38) ENPP3ENPP1ACACAPPARGPPARA
SCHEMBL25538209 0.95 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540376 0.95 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL25540206 0.94 ENPP3 (0.38) ENPP3ENPP1CA12CA1CA2
SCHEMBL25538796 0.94 ENPP1 (0.41) ENPP3ENPP1CA12CA1CA2

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.