SCHEMBL712890

SCHEMBL712890

[c]1ccccc1-c1nnc(-c2ccc(-c3ccc4ccccc4c3)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
HPGD P15428 6/20 0.56
ALDH1A1 P00352 6/20 0.56
CYP1A2 P05177 4/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
NOTUM Q6P988 1/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 2/20 0.38

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
SCHEMBL715719 0.94 SMN1; SMN2 (0.59) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL712891 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL713411 0.81 NPC1 (0.63) SMN1; SMN2HPGDALDH1A1HSD17B10TSHR
SCHEMBL15826005 0.80 ESR1 (0.52) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL713155 0.78 ALDH1A1 (0.50) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL9195816 0.78 SMN1; SMN2 (0.79) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL715720 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL27477472 0.76 SMN1; SMN2 (0.77) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL948858 0.76 GSTP1 (0.45) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10
SCHEMBL13134580 0.76 ALDH1A1 (0.62) SMN1; SMN2HPGDALDH1A1CYP1A2HSD17B10

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 4102/4885HPGD 3662/4885ALDH1A1 1391/4885

“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.