SCHEMBL25539701

SCHEMBL25539701

CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)n4)c4ccccc34)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CTRC Q99895 1/20 0.40
PIM1 P11309 1/20 0.39
CYP1A2 P05177 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
ACACA Q13085 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
PDK2 Q15119 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 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
SCHEMBL25540325 0.98 CYP1A1 (0.45) CYP1A1CYP1B1CTRCPIM1CYP1A2
SCHEMBL25539697 0.98 CYP1A1 (0.45) CYP1A1CYP1B1CTRCPIM1CYP1A2
SCHEMBL25539699 0.97 CYP1A1 (0.41) CYP1A1CYP1B1CTRCPIM1CYP1A2
SCHEMBL25539687 0.96 MEN1 (0.38) CYP1A1CYP1B1CTRCPIM1CYP1A2
SCHEMBL25540474 0.96 MEN1 (0.38) CYP1A1CYP1B1CTRCPIM1CYP1A2
SCHEMBL25540165 0.95 CYP1A1 (0.42) CYP1A1CYP1B1CTRCPIM1CYP1A2
SCHEMBL25539679 0.94 MEN1 (0.38) CYP1A1CYP1B1CTRCPIM1MEN1
SCHEMBL25540324 0.94 MEN1 (0.38) CYP1A1CYP1B1CTRCPIM1MEN1
SCHEMBL25539767 0.94 MEN1 (0.37) CYP1A1CYP1B1CTRCCYP1A2MEN1
SCHEMBL25540012 0.94 CYP1A1 (0.43) CYP1A1CYP1B1CTRCPIM1CYP1A2

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 1273/4885CTRC 3942/4885

“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.