SCHEMBL4947804

SCHEMBL4947804

Cc1ccc(B(Cl)Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
TP53 P04637 3/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 2/20 0.37
RAPGEF4 Q8WZA2 2/20 0.35
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 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
SCHEMBL4945008 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL7626684 0.79 TDP1 (0.46) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9945891 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL29591086 0.77 TDP1 (0.50) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL42414 0.77 TDP1 (0.50) TDP1TP53CYP1A2CYP2A6ALDH1A1
Ammonia Solution, Strong SCHEMBL28219158 0.75 TDP1 (0.48) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL11593372 0.69 TSHR (0.47) TDP1CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL16174268 0.69 TDP1 (0.41) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL17833623 0.69 TDP1 (0.37) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL3785268 0.69 TDP1 (0.41) TDP1TP53CYP1A2CYP2A6ALDH1A1

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-7438981-B2 Indenofluorene compounds and organic electroluminescent devices using the same LG. PHILIPS LCD CO., LTD. (KR) 2008-10-21 US disclosed
US-20070141389-A1 Indenofluorene compounds and organic electroluminescent devices using the same LG.PHILIPS LCD CO., LTD. (KR) 2007-06-21 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-20070141389-A1 Indenofluorene compounds and organic electroluminescent devices using the same KCNH2, KCNH3, KCNJ2 TDP1 2429/4885TP53 2764/4885CYP1A2 555/4885

“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.