SCHEMBL1244899

SCHEMBL1244899

[CH2]CC(CC)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
KCNN4 O15554 4/20 0.41
TAAR1 Q96RJ0 1/20 0.38
KIF11 P52732 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AR P10275 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL827345 0.85 ESR1 (0.56) ESR1ESR2KCNN4TAAR1MAPK1
SCHEMBL23234255 0.82 ESR1 (0.40) ESR1ESR2KCNN4TAAR1KIF11
SCHEMBL15757756 0.82 ESR1 (0.47) ESR1ESR2KCNN4TAAR1KIF11
SCHEMBL29210399 0.79 ESR1 (0.38) ESR1ESR2KCNN4TAAR1KIF11
SCHEMBL8804043 0.78 KIF11 (0.38) ESR1ESR2KIF11TSHRALDH1A1
SCHEMBL11297940 0.76 ESR1 (0.48) ESR1ESR2KCNN4TAAR1MAPK1
SCHEMBL285366 0.76 ESR1 (0.50) ESR1ESR2KCNN4TAAR1KIF11
SCHEMBL2086206 0.76 TAAR1 (0.54) ESR1ESR2KCNN4TAAR1KIF11
SCHEMBL27684700 0.76 TAAR1 (0.48) KCNN4TAAR1KIF11TSHRALDH1A1
SCHEMBL3805520 0.76 ALDH1A1 (0.48) ESR1ESR2KCNN4TAAR1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012413-B2 FGF receptor-activating N-acyl octasaccharides, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-04-21 US disclosed
US-20120214754-A1 FGF RECEPTOR-ACTIVATING N-ACYL OCTASACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-23 US disclosed
EP-2464667-A2 N-ACYLATED OCTASACCHARIDES ACTIVATING FGFS RECEPTORS, THEIR SYNTHESIS AND THEIR THERAPEUTICAL APPLICATION SANOFI (FR) 2012-06-20 EP disclosed
WO-2011018588-A2 FGF RECEPTOR-ACTIVATING N-ACYL OCTASACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-17 WO disclosed
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 WO disclosed
US-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 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-20120214754-A1 FGF RECEPTOR-ACTIVATING N-ACYL OCTASACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF FGFR1, FGF2, FGFR3 ESR1 2717/4885ESR2 1702/4885KCNN4 2477/4885

“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.