SCHEMBL25539876

SCHEMBL25539876

CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)c5ccccc45)cc3)ccc2-c2c1ccc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ACACA Q13085 2/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL25538683 0.98 CYP1A1 (0.35) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25538691 0.98 CYP1A1 (0.35) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25540351 0.98 CYP1A1 (0.35) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25540037 0.98 CYP1A1 (0.35) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25540189 0.97 CYP1A1 (0.34) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25538782 0.97 RARA (0.34) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25540034 0.97 RARA (0.34) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25539872 0.97 MAPT (0.37) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25539868 0.97 MAPT (0.37) CYP1A1CYP1B1ALDH1A1MAPTHPGD
SCHEMBL25540031 0.96 CYP1A1 (0.34) CYP1A1CYP1B1ALDH1A1MAPTHPGD

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 CYP1A1 888/4885CYP1B1 1273/4885ALDH1A1 254/4885

“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.