SCHEMBL4945008

SCHEMBL4945008

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 3/20 0.38
TP53 P04637 3/20 0.37
TAAR1 Q96RJ0 1/20 0.35
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 3/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 2/20 0.33
ACHE P22303 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 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
SCHEMBL4947804 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL7629029 0.79 TDP1 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1753767 0.77 TDP1 (0.44) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL513136 0.77 CA2 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL29349417 0.77 CA2 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL89325 0.70
SCHEMBL1313272 0.69 CYP3A4 (0.54) TDP1ALDH1A1CYP1A2CYP2A6TP53
Water SCHEMBL28511306 0.69 CYP3A4 (0.54) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL11593372 0.69 TSHR (0.47) TDP1ALDH1A1CYP1A2CYP2A6TAAR1
SCHEMBL3788479 0.69 ALDH1A1 (0.41) TDP1ALDH1A1CYP1A2CYP2A6TP53

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 2429/4885ALDH1A1 912/4885CYP1A2 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.