SCHEMBL3753314

SCHEMBL3753314

CC1(C)c2c(ccc3cc(Br)ccc23)-c2ccc3cc(Br)ccc3c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.40
CYP2A6 P11509 1/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SIRT2 Q8IXJ6 3/20 0.35
RXFP1 Q9HBX9 3/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2 P10415 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
SCHEMBL16683878 0.90 ERN1 (0.35) NCEH1CYP2A6ERN1ALDH1A1MAPT
SCHEMBL11914432 0.85 KDM4E (0.33) NCEH1CYP2A6ERN1ALDH1A1MAPT
SCHEMBL29561560 0.85 PDK2 (0.41) NCEH1CYP2A6ERN1MEN1KMT2A
SCHEMBL18553672 0.85 PDK2 (0.41) NCEH1CYP2A6ERN1MEN1KMT2A
SCHEMBL17863531 0.81 MEN1 (0.40) NCEH1CYP2A6ERN1ALDH1A1MEN1
SCHEMBL3750426 0.76 CYP2D6 (0.35) CYP2A6ALDH1A1MEN1KMT2ASIRT2
SCHEMBL29771097 0.76 CYP2A6 (0.40) CYP2A6ALDH1A1MAPTMEN1KMT2A
SCHEMBL29562732 0.76 CYP2A6 (0.40) CYP2A6ALDH1A1MAPTMEN1KMT2A
SCHEMBL13828968 0.76 CYP2A6 (0.40) CYP2A6ALDH1A1MAPTMEN1KMT2A
SCHEMBL18395419 0.76 PDK2 (0.42) NCEH1CYP2A6ERN1

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-7838130-B2 Aminodibenzofluorene derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-23 US disclosed
US-20090267491-A1 AMINODIBENZOFLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-29 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-20090267491-A1 AMINODIBENZOFLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME L1CAM, DDC, LEF1 NCEH1 3273/4885CYP2A6 2100/4885ERN1 1948/4885

“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.