SCHEMBL4947809

SCHEMBL4947809

Cc1cccc(B(Cl)Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ATM Q13315 1/20 0.42
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 4/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
AHR P35869 1/20 0.35
ADRB1 P08588 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
CD44 P16070 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8596451 0.79 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL30314457 0.79 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL11593372 0.79 TSHR (0.47) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL29479067 0.77 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9109699 0.77 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL309076 0.77 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL12270904 0.73 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL5951494 0.71 TRPA1 (0.39) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL40704 0.71
SCHEMBL5494561 0.71 TRPA1 (0.61) TRPA1ATMCYP2A6CYP1A2TSHR

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 TRPA1 147/4885ATM 3326/4885CYP2A6 3047/4885

“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.