SCHEMBL2966653

SCHEMBL2966653

[c]1sc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
PTPN1 P18031 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP2A6 P11509 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 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
SCHEMBL3691529 0.79 KDM4E (0.31) KDM4EALDH1A1TSHRHSD17B10TDP1
SCHEMBL2720864 0.72 ITGB2 (0.36) KDM4EALDH1A1MAPK1SMN1; SMN2CYP3A4
SCHEMBL2967968 0.71 GSTP1 (0.39) KDM4EALDH1A1CYP1A2HPGDCA1
SCHEMBL646330 0.70 ALDH1A1 (0.42) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL25302086 0.70 ALDH1A1 (0.59) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL27953 0.70 ALDH1A1 (0.59) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL29350007 0.70 ALDH1A1 (0.59) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL5877790 0.68 GPR3 (0.33) KDM4EALDH1A1TSHRHSD17B10TP53
Bromide SCHEMBL7106161 0.67 ALDH1A1 (0.56) KDM4EPTPN1ALPLGAAALDH1A1
Ammonia Solution, Strong SCHEMBL3156160 0.67 ALDH1A1 (0.56) KDM4EPTPN1ALPLGAAALDH1A1

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
CN-109564981-A ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EQUIPPED WITH SAME 出光兴产株式会社 2019-04-02 CN disclosed
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 KDM4E 2287/4885PTPN1 3276/4885ALPL 2863/4885

“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.