SCHEMBL714560

SCHEMBL714560

[c]1ccccc1N(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CRHR2 Q13324 1/20 0.32
TLR9 Q9NR96 1/20 0.32
PKM P14618 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
SCHEMBL22576661 0.98 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL128446 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL713833 0.85 ESR1 (0.42) ALDH1A1CYP1A2KDM4ECYP2C9CYP2C19
SCHEMBL2926848 0.83 CYP2C19 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL125309 0.78 TSHR (0.38) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL24467954 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22017677 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22972387 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL14431738 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL14160261 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1

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 ALDH1A1 1391/4885L3MBTL1 988/4885CYP1A2 2141/4885

“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.