SCHEMBL3750426

SCHEMBL3750426

CC1(C)c2cc(Br)c3ccccc3c2-c2ccc3cc(Br)ccc3c21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGES O14684 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
DHFR P00374 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL13789693 0.84 CYP2D6 (0.33) CYP2D6CYP2C19ALDH1A1CYP1A2CYP2C9
SCHEMBL11914271 0.84 PDK2 (0.35) PTGES
SCHEMBL14063305 0.80 PDK2 (0.36) CYP2D6CYP2C19PTGES
SCHEMBL29963982 0.80 PDK2 (0.36) CYP2D6CYP2C19PTGES
SCHEMBL17863531 0.80 MEN1 (0.40) CYP2D6CYP2C19CYP2A6ALDH1A1CYP1A2
SCHEMBL3756278 0.80 HKDC1 (0.33) CYP2D6CYP2C19ALDH1A1CYP1A2CYP2C9
SCHEMBL29561560 0.79 PDK2 (0.41) CYP2A6CYP1A2SIRT2MEN1KMT2A
SCHEMBL18553672 0.79 PDK2 (0.41) CYP2A6CYP1A2SIRT2MEN1KMT2A
SCHEMBL17863532 0.78 MEN1 (0.33) CYP2D6CYP2C19ALDH1A1CYP1A2CYP2C9
SCHEMBL16683878 0.77 ERN1 (0.35) CYP2A6ALDH1A1SIRT2MEN1KMT2A

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 CYP2D6 1341/4885CYP2C19 842/4885CYP2A6 2100/4885

“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.