SCHEMBL715058

SCHEMBL715058

Cn1c(-c2[c]cccc2)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.49
NQO2 P16083 1/20 0.41
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
ATP1A1 P05023 3/20 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
SCHEMBL822673 0.79 PCSK9 (0.68) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL715182 0.76 ALDH1A1 (0.39) KMT2AALOX12RAB9AALDH1A1HPGD
SCHEMBL715059 0.76 PCSK9 (0.55) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL41140 0.73 ALDH1A1 (0.42) KMT2ACYP1A2CYP3A4NPC1RAB9A
SCHEMBL38202 0.73 ALDH1A1 (0.42) KMT2ACYP1A2CYP3A4NPC1RAB9A
SCHEMBL28544762 0.71 ALDH1A1 (0.40) KMT2ACYP1A2CYP3A4NPC1RAB9A
SCHEMBL9302206 0.69 PCSK9 (0.43) PCSK9NQO2NPC1ALDH1A1GAA
SCHEMBL25097 0.69 ALDH1A1 (0.45) CYP1A2CYP3A4TDP1ALDH1A1MAPT
SCHEMBL769959 0.69 ALDH1A1 (0.45) CYP1A2CYP3A4TDP1ALDH1A1MAPT
SCHEMBL769634 0.69 ALDH1A1 (0.45) CYP1A2CYP3A4TDP1ALDH1A1MAPT

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 PCSK9 4779/4885NQO2 2505/4885KMT2A 2499/4885

“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.