SCHEMBL714485

SCHEMBL714485

[c]1ccccc1-c1ccnc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
LMNA P02545 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.31
CHEK1 O14757 1/20 0.31
GSK3B P49841 1/20 0.31
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15B O15296 1/20 0.31
NR1I2 O75469 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTR1A P08908 1/20 0.31
ALOX5 P09917 1/20 0.31
MMP9 P14780 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
SCHEMBL21295844 0.81 NPC1 (0.46) TGFBR1KDM4EMAPTALDH1A1HPGD
SCHEMBL15511226 0.78 MAPT (0.44) KDM4EMAPTALDH1A1CYP3A4TP53
SCHEMBL9958819 0.78 CCR1 (0.51) LMNAKDM4EMAPTALDH1A1CYP3A4
SCHEMBL3860212 0.75 ALDH1A1 (0.38) LMNAKDM4EMAPTALDH1A1CYP3A4
SCHEMBL713490 0.72 NFATC1 (0.40) TGFBR1KDM4EMAPTALDH1A1HPGD
SCHEMBL10867427 0.72 TOP2A (0.41) ALDH1A1CHEK1GSK3BMEN1KMT2A
SCHEMBL16720349 0.72 TGFBR1 (0.50) TGFBR1GSK3B
SCHEMBL20208988 0.72 LRRK2 (0.50) TGFBR1CHEK1GSK3BKMT2A
SCHEMBL4808960 0.71 TRIM24 (0.36) LMNAKDM4EMAPTGAACYP3A4
SCHEMBL5100088 0.71 MKNK1 (0.39) MEN1KMT2ATDP1PDE4D

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 TGFBR1 3886/4885LMNA 1954/4885KDM4E 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.