SCHEMBL715062

SCHEMBL715062

Cc1cc2ccccc2n1-c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 4/20 0.34
TP53 P04637 3/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
VCP P55072 2/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 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
SCHEMBL713625 0.77 KMT2A (0.49) NOTUMKDM4ETSHRALDH1A1KMT2A
SCHEMBL715063 0.74 ALDH1A1 (0.41) SLC6A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL13425012 0.74 ALDH1A1 (0.47) SLC6A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL13483671 0.74 TSHR (0.43) SLC6A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL1885602 0.72 ALDH1A1 (0.55) SLC6A2MAPTRXFP1NOTUMKDM4E
SCHEMBL30446730 0.72 ALDH1A1 (0.55) SLC6A2MAPTRXFP1NOTUMKDM4E
SCHEMBL64405 0.71 ALDH1A1 (0.44) SLC6A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL715990 0.70 KDM4E (0.46) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL5604596 0.69 MAPT (0.40) SLC6A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL12345965 0.69 ALDH1A1 (0.43) SLC6A2HDAC1HDAC2HDAC8HDAC6

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 SLC6A2 1951/4885HDAC1 377/4885HDAC2 414/4885

“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.