SCHEMBL2850107

SCHEMBL2850107

c1ccc(N(c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
DRD1 P21728 2/20 0.36
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL10154136 0.81 CYP3A4 (0.38) TDP1CYP3A4KDM4EDRD1ALDH1A1
SCHEMBL18287348 0.78 TDP1 (0.35) TDP1CYP3A4DRD1L3MBTL1MAPT
SCHEMBL9177857 0.78 CYP3A4 (0.42) TDP1CYP3A4KDM4EGAADRD1
SCHEMBL28477525 0.77 TDP1 (0.67) TDP1CYP3A4KDM4EGAAALDH1A1
SCHEMBL2846078 0.77 CYP3A4 (0.46) TDP1CYP3A4KDM4EGAADRD1
SCHEMBL2851162 0.77 ALDH1A1 (0.37) TDP1CYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL1622430 0.77 TDP1 (0.46) TDP1CYP3A4KDM4EGAADRD1
SCHEMBL2850046 0.76 CYP3A4 (0.41) TDP1CYP3A4KDM4EGAADRD1
Bromide SCHEMBL7609603 0.75 TDP1 (0.44) TDP1CYP3A4KDM4EGAADRD1
SCHEMBL17682702 0.74 CA12 (0.38) TDP1CYP3A4KDM4EGAADRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-08 US disclosed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 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-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OXA1L, MAL2, L1CAM TDP1 4331/4885CYP3A4 2149/4885KDM4E 1288/4885

“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.