SCHEMBL2968035

SCHEMBL2968035

[c]1sc(-c2ccccc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDO2 P48775 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2967965 0.77 GSTP1 (0.39) ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL4460819 0.68
SCHEMBL2264535 0.68 CYP1A2 (0.36) ALDH1A1CYP1A2
SCHEMBL6238908 0.66 ALDH1A1 (0.44) ALDH1A1TDO2CYP1A2CYP2D6MAPT
SCHEMBL27674356 0.65 CYP2A6 (0.38) ALDH1A1MAPT
SCHEMBL14190040 0.64 ALDH1A1 (0.42) ALDH1A1TDO2CYP1A2CYP2D6MAPT
SCHEMBL4467536 0.64 ALDH1A1 (0.39) ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL7435648 0.64 TP53 (0.31) ALDH1A1MAPT
Triphenylene SCHEMBL29177860 0.60 ALDH1A1 (0.75) ALDH1A1CYP1A2
Triphenylene SCHEMBL29177868 0.60 ALDH1A1 (0.75) ALDH1A1CYP1A2

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US claimed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ALDH1A1 944/4885TDO2 257/4885CYP1A2 1391/4885

“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.