SCHEMBL715719

SCHEMBL715719

[c]1ccccc1-c1nnc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.59
TSHR P16473 6/20 0.59
CYP1A2 P05177 5/20 0.59
ALDH1A1 P00352 5/20 0.59
HSD17B10 Q99714 5/20 0.59
HPGD P15428 3/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 4/20 0.42
TP53 P04637 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL712890 0.94 SMN1; SMN2 (0.56) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL9195816 0.83 SMN1; SMN2 (0.79) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL713411 0.80 NPC1 (0.63) SMN1; SMN2TSHRALDH1A1HSD17B10HPGD
SCHEMBL715720 0.80 SMN1; SMN2 (0.69) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL27477472 0.79 SMN1; SMN2 (0.77) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL948858 0.78 GSTP1 (0.45) SMN1; SMN2CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL713155 0.77 ALDH1A1 (0.50) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL15826005 0.75 ESR1 (0.52) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP2C9
SCHEMBL4800236 0.75 SMN1; SMN2 (0.62) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL712891 0.75 SMN1; SMN2 (0.62) SMN1; SMN2TSHRCYP1A2ALDH1A1HSD17B10

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 SMN1; SMN2 4102/4885TSHR 1971/4885CYP1A2 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.